USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 MET CE :methyl 178:sc= -1.76 (180deg=-1.67) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= -0.344 USER MOD Set 2.1: A 36 SER OG : rot -132:sc= 1.26 USER MOD Set 2.2: A 44 THR OG1 : rot 130:sc= 1.07 USER MOD Set 3.1: A 21 HIS : no HE2:sc= -0.0131 K(o=0.33,f=-0.17) USER MOD Set 3.2: A 23 HIS : no HD1:sc= 0 X(o=0.33,f=0.33) USER MOD Set 3.3: A 87 HIS : no HD1:sc= 0.0113 K(o=0.33,f=-2.7) USER MOD Set 3.4: A 89 GLN : amide:sc= 0.336 K(o=0.33,f=-1.8) USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.135 USER MOD Single : A 3 THR OG1 : rot -150:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.0327 K(o=-0.033,f=-3.3!) USER MOD Single : A 10 GLN : amide:sc= -4.99! C(o=-5!,f=-8.1!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 22 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.7) USER MOD Single : A 26 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.12) USER MOD Single : A 30 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.017) USER MOD Single : A 32 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.0015) USER MOD Single : A 33 GLN : amide:sc= 0.675 K(o=0.68,f=-5!) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 37 THR OG1 : rot -31:sc= 0.251 USER MOD Single : A 38 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.61) USER MOD Single : A 45 MET CE :methyl -109:sc= -1.24 (180deg=-1.71) USER MOD Single : A 52 GLN : amide:sc= -1.25! C(o=-1.2!,f=-6.7!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=0.81) USER MOD Single : A 65 ASN : amide:sc= 0.00516 K(o=0.0052,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.01) USER MOD Single : A 79 TYR OH : rot -140:sc= -1.31! USER MOD Single : A 81 MET CE :methyl -153:sc= -0.383 (180deg=-1.29) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= 0.992 (180deg=0.49) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -18.338 -0.513 5.975 1.00 0.00 N ATOM 21 CA THR A 2 -17.420 -0.188 4.882 1.00 0.00 C ATOM 22 C THR A 2 -15.970 -0.006 5.345 1.00 0.00 C ATOM 23 O THR A 2 -15.570 1.064 5.807 1.00 0.00 O ATOM 24 CB THR A 2 -17.890 1.068 4.127 1.00 0.00 C ATOM 25 OG1 THR A 2 -19.249 0.887 3.699 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.006 1.345 2.917 1.00 0.00 C ATOM 0 HA THR A 2 -17.436 -1.046 4.210 1.00 0.00 H new ATOM 0 HB THR A 2 -17.822 1.921 4.802 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.743 0.388 4.382 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.362 2.238 2.403 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.978 1.501 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.045 0.495 2.236 1.00 0.00 H new ATOM 34 N THR A 3 -15.187 -1.064 5.212 1.00 0.00 N ATOM 35 CA THR A 3 -13.767 -1.014 5.533 1.00 0.00 C ATOM 36 C THR A 3 -12.965 -0.531 4.330 1.00 0.00 C ATOM 37 O THR A 3 -11.914 0.096 4.466 1.00 0.00 O ATOM 38 CB THR A 3 -13.260 -2.407 5.934 1.00 0.00 C ATOM 39 OG1 THR A 3 -14.123 -2.962 6.932 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.834 -2.343 6.451 1.00 0.00 C ATOM 0 H THR A 3 -15.511 -1.973 4.882 1.00 0.00 H new ATOM 0 HA THR A 3 -13.635 -0.321 6.364 1.00 0.00 H new ATOM 0 HB THR A 3 -13.267 -3.046 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.609 -3.560 7.513 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.502 -3.344 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.182 -1.946 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.793 -1.693 7.325 1.00 0.00 H new ATOM 48 N HIS A 4 -13.499 -0.804 3.151 1.00 0.00 N ATOM 49 CA HIS A 4 -12.776 -0.597 1.902 1.00 0.00 C ATOM 50 C HIS A 4 -12.459 0.876 1.667 1.00 0.00 C ATOM 51 O HIS A 4 -11.383 1.211 1.178 1.00 0.00 O ATOM 52 CB HIS A 4 -13.588 -1.156 0.737 1.00 0.00 C ATOM 53 CG HIS A 4 -13.975 -2.590 0.921 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.273 -3.000 1.132 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.220 -3.713 0.951 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.299 -4.310 1.285 1.00 0.00 C ATOM 57 NE2 HIS A 4 -14.067 -4.763 1.178 1.00 0.00 N ATOM 0 H HIS A 4 -14.442 -1.174 3.030 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.826 -1.127 1.972 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.490 -0.557 0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.009 -1.058 -0.181 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.149 -3.770 0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.180 -4.908 1.467 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.789 -5.741 1.253 1.00 0.00 H new ATOM 66 N ASP A 5 -13.391 1.748 2.033 1.00 0.00 N ATOM 67 CA ASP A 5 -13.200 3.190 1.876 1.00 0.00 C ATOM 68 C ASP A 5 -12.020 3.666 2.718 1.00 0.00 C ATOM 69 O ASP A 5 -11.228 4.504 2.290 1.00 0.00 O ATOM 70 CB ASP A 5 -14.473 3.934 2.286 1.00 0.00 C ATOM 71 CG ASP A 5 -14.362 5.434 2.109 1.00 0.00 C ATOM 72 OD1 ASP A 5 -14.609 5.917 0.988 1.00 0.00 O ATOM 73 OD2 ASP A 5 -14.049 6.137 3.094 1.00 0.00 O ATOM 0 H ASP A 5 -14.288 1.484 2.441 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.986 3.402 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.310 3.564 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.697 3.712 3.329 1.00 0.00 H new ATOM 78 N ARG A 6 -11.897 3.089 3.907 1.00 0.00 N ATOM 79 CA ARG A 6 -10.834 3.446 4.842 1.00 0.00 C ATOM 80 C ARG A 6 -9.474 3.042 4.283 1.00 0.00 C ATOM 81 O ARG A 6 -8.508 3.801 4.357 1.00 0.00 O ATOM 82 CB ARG A 6 -11.072 2.757 6.186 1.00 0.00 C ATOM 83 CG ARG A 6 -12.499 2.903 6.688 1.00 0.00 C ATOM 84 CD ARG A 6 -12.737 2.083 7.943 1.00 0.00 C ATOM 85 NE ARG A 6 -14.162 1.959 8.241 1.00 0.00 N ATOM 86 CZ ARG A 6 -14.646 1.442 9.367 1.00 0.00 C ATOM 87 NH1 ARG A 6 -13.822 0.998 10.309 1.00 0.00 N ATOM 88 NH2 ARG A 6 -15.958 1.357 9.542 1.00 0.00 N ATOM 0 H ARG A 6 -12.527 2.364 4.250 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.843 4.526 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.833 1.698 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.389 3.173 6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.707 3.953 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -13.193 2.587 5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.303 1.091 7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.228 2.550 8.786 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.827 2.290 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.813 1.053 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.198 0.602 11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.592 1.687 8.815 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.333 0.961 10.404 1.00 0.00 H new ATOM 102 N VAL A 7 -9.414 1.843 3.713 1.00 0.00 N ATOM 103 CA VAL A 7 -8.192 1.349 3.086 1.00 0.00 C ATOM 104 C VAL A 7 -7.831 2.216 1.884 1.00 0.00 C ATOM 105 O VAL A 7 -6.662 2.514 1.639 1.00 0.00 O ATOM 106 CB VAL A 7 -8.346 -0.122 2.631 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.039 -0.657 2.066 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.830 -0.991 3.779 1.00 0.00 C ATOM 0 H VAL A 7 -10.199 1.193 3.672 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.395 1.399 3.828 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.094 -0.153 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.174 -1.692 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.740 -0.055 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.264 -0.607 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.932 -2.021 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.110 -0.949 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.796 -0.627 4.128 1.00 0.00 H new ATOM 118 N ARG A 8 -8.856 2.632 1.150 1.00 0.00 N ATOM 119 CA ARG A 8 -8.681 3.511 0.004 1.00 0.00 C ATOM 120 C ARG A 8 -8.047 4.833 0.430 1.00 0.00 C ATOM 121 O ARG A 8 -7.181 5.371 -0.263 1.00 0.00 O ATOM 122 CB ARG A 8 -10.036 3.762 -0.662 1.00 0.00 C ATOM 123 CG ARG A 8 -9.973 4.695 -1.857 1.00 0.00 C ATOM 124 CD ARG A 8 -11.364 5.031 -2.363 1.00 0.00 C ATOM 125 NE ARG A 8 -11.330 6.040 -3.417 1.00 0.00 N ATOM 126 CZ ARG A 8 -11.402 7.352 -3.188 1.00 0.00 C ATOM 127 NH1 ARG A 8 -11.494 7.809 -1.942 1.00 0.00 N ATOM 128 NH2 ARG A 8 -11.384 8.206 -4.199 1.00 0.00 N ATOM 0 H ARG A 8 -9.825 2.371 1.332 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.013 3.030 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.455 2.808 -0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.720 4.180 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.453 5.612 -1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.395 4.230 -2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.841 4.127 -2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.974 5.391 -1.535 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.246 5.724 -4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.510 7.156 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.549 8.813 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.315 7.861 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.439 9.209 -4.021 1.00 0.00 H new ATOM 142 N LEU A 9 -8.477 5.344 1.579 1.00 0.00 N ATOM 143 CA LEU A 9 -7.927 6.580 2.122 1.00 0.00 C ATOM 144 C LEU A 9 -6.461 6.399 2.495 1.00 0.00 C ATOM 145 O LEU A 9 -5.647 7.299 2.284 1.00 0.00 O ATOM 146 CB LEU A 9 -8.724 7.036 3.346 1.00 0.00 C ATOM 147 CG LEU A 9 -10.184 7.396 3.072 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.872 7.850 4.351 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.276 8.472 2.001 1.00 0.00 C ATOM 0 H LEU A 9 -9.206 4.920 2.153 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.001 7.347 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.696 6.244 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.228 7.903 3.781 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.696 6.505 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.910 8.102 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.839 7.047 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.361 8.727 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.323 8.716 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.749 9.365 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.823 8.107 1.079 1.00 0.00 H new ATOM 161 N GLN A 10 -6.129 5.233 3.038 1.00 0.00 N ATOM 162 CA GLN A 10 -4.751 4.930 3.404 1.00 0.00 C ATOM 163 C GLN A 10 -3.877 4.923 2.158 1.00 0.00 C ATOM 164 O GLN A 10 -2.777 5.466 2.164 1.00 0.00 O ATOM 165 CB GLN A 10 -4.667 3.583 4.136 1.00 0.00 C ATOM 166 CG GLN A 10 -3.312 3.313 4.785 1.00 0.00 C ATOM 167 CD GLN A 10 -2.234 2.921 3.789 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.507 2.280 2.778 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.008 3.338 4.045 1.00 0.00 N ATOM 0 H GLN A 10 -6.793 4.484 3.234 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.389 5.702 4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.439 3.550 4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.886 2.783 3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.991 4.204 5.324 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.422 2.517 5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.817 3.868 4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.252 3.130 3.393 1.00 0.00 H new ATOM 178 N LEU A 11 -4.382 4.323 1.086 1.00 0.00 N ATOM 179 CA LEU A 11 -3.661 4.278 -0.180 1.00 0.00 C ATOM 180 C LEU A 11 -3.319 5.687 -0.658 1.00 0.00 C ATOM 181 O LEU A 11 -2.229 5.934 -1.174 1.00 0.00 O ATOM 182 CB LEU A 11 -4.494 3.557 -1.238 1.00 0.00 C ATOM 183 CG LEU A 11 -4.796 2.087 -0.939 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.727 1.509 -1.993 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.509 1.279 -0.865 1.00 0.00 C ATOM 0 H LEU A 11 -5.291 3.860 1.069 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.732 3.730 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.438 4.088 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.971 3.617 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.293 2.030 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.931 0.463 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.663 2.068 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.256 1.581 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.746 0.237 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.983 1.344 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.875 1.677 -0.073 1.00 0.00 H new ATOM 197 N GLN A 12 -4.253 6.608 -0.463 1.00 0.00 N ATOM 198 CA GLN A 12 -4.050 8.001 -0.840 1.00 0.00 C ATOM 199 C GLN A 12 -3.055 8.679 0.101 1.00 0.00 C ATOM 200 O GLN A 12 -2.321 9.584 -0.299 1.00 0.00 O ATOM 201 CB GLN A 12 -5.382 8.751 -0.832 1.00 0.00 C ATOM 202 CG GLN A 12 -6.367 8.247 -1.877 1.00 0.00 C ATOM 203 CD GLN A 12 -7.689 8.988 -1.841 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.138 9.437 -0.787 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.316 9.134 -2.998 1.00 0.00 N ATOM 0 H GLN A 12 -5.163 6.415 -0.044 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.638 8.026 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.835 8.662 0.156 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.194 9.811 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.924 8.351 -2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.547 7.184 -1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.911 8.747 -3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.204 9.634 -3.037 1.00 0.00 H new ATOM 214 N ALA A 13 -3.031 8.232 1.351 1.00 0.00 N ATOM 215 CA ALA A 13 -2.096 8.758 2.339 1.00 0.00 C ATOM 216 C ALA A 13 -0.690 8.235 2.070 1.00 0.00 C ATOM 217 O ALA A 13 0.293 8.961 2.218 1.00 0.00 O ATOM 218 CB ALA A 13 -2.547 8.392 3.746 1.00 0.00 C ATOM 0 H ALA A 13 -3.651 7.504 1.706 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.079 9.845 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.838 8.792 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.534 8.814 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.592 7.307 3.843 1.00 0.00 H new ATOM 224 N LEU A 14 -0.606 6.974 1.668 1.00 0.00 N ATOM 225 CA LEU A 14 0.660 6.368 1.281 1.00 0.00 C ATOM 226 C LEU A 14 1.224 7.083 0.057 1.00 0.00 C ATOM 227 O LEU A 14 2.426 7.338 -0.027 1.00 0.00 O ATOM 228 CB LEU A 14 0.462 4.877 0.992 1.00 0.00 C ATOM 229 CG LEU A 14 1.721 4.108 0.577 1.00 0.00 C ATOM 230 CD1 LEU A 14 2.772 4.153 1.676 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.371 2.669 0.238 1.00 0.00 C ATOM 0 H LEU A 14 -1.407 6.347 1.601 1.00 0.00 H new ATOM 0 HA LEU A 14 1.371 6.468 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.047 4.405 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.281 4.774 0.201 1.00 0.00 H new ATOM 0 HG LEU A 14 2.137 4.587 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.656 3.600 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.045 5.189 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.370 3.702 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.274 2.134 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.931 2.186 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.656 2.653 -0.585 1.00 0.00 H new ATOM 243 N GLU A 15 0.338 7.405 -0.881 1.00 0.00 N ATOM 244 CA GLU A 15 0.698 8.204 -2.047 1.00 0.00 C ATOM 245 C GLU A 15 1.340 9.517 -1.605 1.00 0.00 C ATOM 246 O GLU A 15 2.400 9.909 -2.100 1.00 0.00 O ATOM 247 CB GLU A 15 -0.548 8.491 -2.893 1.00 0.00 C ATOM 248 CG GLU A 15 -0.292 9.413 -4.074 1.00 0.00 C ATOM 249 CD GLU A 15 -1.568 9.854 -4.759 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.266 10.736 -4.214 1.00 0.00 O ATOM 251 OE2 GLU A 15 -1.882 9.328 -5.847 1.00 0.00 O ATOM 0 H GLU A 15 -0.642 7.122 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 15 1.414 7.644 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.950 7.547 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.313 8.936 -2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.254 10.292 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.346 8.903 -4.796 1.00 0.00 H new ATOM 258 N ALA A 16 0.694 10.177 -0.650 1.00 0.00 N ATOM 259 CA ALA A 16 1.180 11.443 -0.123 1.00 0.00 C ATOM 260 C ALA A 16 2.536 11.275 0.551 1.00 0.00 C ATOM 261 O ALA A 16 3.435 12.083 0.339 1.00 0.00 O ATOM 262 CB ALA A 16 0.171 12.038 0.846 1.00 0.00 C ATOM 0 H ALA A 16 -0.174 9.852 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 16 1.306 12.130 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.550 12.985 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.773 12.209 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.011 11.348 1.674 1.00 0.00 H new ATOM 268 N LEU A 17 2.678 10.214 1.343 1.00 0.00 N ATOM 269 CA LEU A 17 3.923 9.934 2.058 1.00 0.00 C ATOM 270 C LEU A 17 5.085 9.784 1.078 1.00 0.00 C ATOM 271 O LEU A 17 6.176 10.323 1.293 1.00 0.00 O ATOM 272 CB LEU A 17 3.755 8.659 2.910 1.00 0.00 C ATOM 273 CG LEU A 17 4.888 8.341 3.901 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.381 7.408 4.990 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.079 7.701 3.198 1.00 0.00 C ATOM 0 H LEU A 17 1.940 9.529 1.507 1.00 0.00 H new ATOM 0 HA LEU A 17 4.151 10.771 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.825 8.744 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.644 7.810 2.235 1.00 0.00 H new ATOM 0 HG LEU A 17 5.216 9.281 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.190 7.189 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.561 7.886 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.029 6.480 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.861 7.489 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.765 6.772 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.464 8.384 2.440 1.00 0.00 H new ATOM 287 N LEU A 18 4.841 9.059 -0.003 1.00 0.00 N ATOM 288 CA LEU A 18 5.861 8.833 -1.016 1.00 0.00 C ATOM 289 C LEU A 18 6.163 10.125 -1.767 1.00 0.00 C ATOM 290 O LEU A 18 7.306 10.374 -2.167 1.00 0.00 O ATOM 291 CB LEU A 18 5.406 7.739 -1.983 1.00 0.00 C ATOM 292 CG LEU A 18 5.144 6.378 -1.331 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.588 5.395 -2.346 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.418 5.832 -0.707 1.00 0.00 C ATOM 0 H LEU A 18 3.944 8.616 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 18 6.777 8.504 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.495 8.069 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.165 7.617 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 18 4.403 6.514 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.409 4.435 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.651 5.779 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.305 5.265 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.213 4.865 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.179 5.714 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.777 6.525 0.054 1.00 0.00 H new ATOM 306 N ARG A 19 5.138 10.952 -1.937 1.00 0.00 N ATOM 307 CA ARG A 19 5.292 12.248 -2.580 1.00 0.00 C ATOM 308 C ARG A 19 6.099 13.193 -1.691 1.00 0.00 C ATOM 309 O ARG A 19 6.951 13.931 -2.183 1.00 0.00 O ATOM 310 CB ARG A 19 3.922 12.858 -2.885 1.00 0.00 C ATOM 311 CG ARG A 19 3.996 14.204 -3.590 1.00 0.00 C ATOM 312 CD ARG A 19 2.617 14.807 -3.781 1.00 0.00 C ATOM 313 NE ARG A 19 2.675 16.118 -4.422 1.00 0.00 N ATOM 314 CZ ARG A 19 1.783 17.084 -4.214 1.00 0.00 C ATOM 315 NH1 ARG A 19 0.796 16.901 -3.347 1.00 0.00 N ATOM 316 NH2 ARG A 19 1.881 18.237 -4.863 1.00 0.00 N ATOM 0 H ARG A 19 4.186 10.744 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 19 5.830 12.104 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.355 12.164 -3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.371 12.976 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.616 14.887 -3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.479 14.082 -4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.008 14.135 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.125 14.899 -2.813 1.00 0.00 H new ATOM 0 HE ARG A 19 3.443 16.304 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.720 16.020 -2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.113 17.642 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.642 18.386 -5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.195 18.974 -4.700 1.00 0.00 H new ATOM 330 N GLU A 20 5.831 13.150 -0.384 1.00 0.00 N ATOM 331 CA GLU A 20 6.537 13.985 0.592 1.00 0.00 C ATOM 332 C GLU A 20 8.045 13.905 0.397 1.00 0.00 C ATOM 333 O GLU A 20 8.722 14.920 0.269 1.00 0.00 O ATOM 334 CB GLU A 20 6.212 13.547 2.024 1.00 0.00 C ATOM 335 CG GLU A 20 4.789 13.830 2.468 1.00 0.00 C ATOM 336 CD GLU A 20 4.531 13.346 3.881 1.00 0.00 C ATOM 337 OE1 GLU A 20 5.098 13.937 4.828 1.00 0.00 O ATOM 338 OE2 GLU A 20 3.774 12.374 4.059 1.00 0.00 O ATOM 0 H GLU A 20 5.124 12.540 0.026 1.00 0.00 H new ATOM 0 HA GLU A 20 6.202 15.010 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.400 12.477 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.897 14.049 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.597 14.901 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.092 13.344 1.785 1.00 0.00 H new ATOM 345 N HIS A 21 8.558 12.686 0.356 1.00 0.00 N ATOM 346 CA HIS A 21 9.996 12.470 0.278 1.00 0.00 C ATOM 347 C HIS A 21 10.446 12.348 -1.171 1.00 0.00 C ATOM 348 O HIS A 21 11.566 11.924 -1.451 1.00 0.00 O ATOM 349 CB HIS A 21 10.391 11.231 1.086 1.00 0.00 C ATOM 350 CG HIS A 21 10.050 11.348 2.542 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.914 11.867 3.479 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.917 11.036 3.215 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.330 11.868 4.661 1.00 0.00 C ATOM 354 NE2 HIS A 21 9.113 11.371 4.530 1.00 0.00 N ATOM 0 H HIS A 21 8.002 11.831 0.375 1.00 0.00 H new ATOM 0 HA HIS A 21 10.502 13.334 0.710 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.889 10.357 0.670 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.463 11.063 0.982 1.00 0.00 H new ATOM 0 HD1 HIS A 21 11.859 12.199 3.289 1.00 0.00 H new ATOM 0 HD2 HIS A 21 8.022 10.602 2.793 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.773 12.217 5.582 1.00 0.00 H new ATOM 363 N GLN A 22 9.551 12.723 -2.084 1.00 0.00 N ATOM 364 CA GLN A 22 9.855 12.797 -3.513 1.00 0.00 C ATOM 365 C GLN A 22 10.363 11.467 -4.061 1.00 0.00 C ATOM 366 O GLN A 22 11.287 11.427 -4.870 1.00 0.00 O ATOM 367 CB GLN A 22 10.881 13.905 -3.777 1.00 0.00 C ATOM 368 CG GLN A 22 10.401 15.286 -3.359 1.00 0.00 C ATOM 369 CD GLN A 22 9.130 15.702 -4.075 1.00 0.00 C ATOM 370 OE1 GLN A 22 8.887 15.314 -5.219 1.00 0.00 O ATOM 371 NE2 GLN A 22 8.301 16.484 -3.402 1.00 0.00 N ATOM 0 H GLN A 22 8.592 12.985 -1.853 1.00 0.00 H new ATOM 0 HA GLN A 22 8.926 13.030 -4.034 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.802 13.672 -3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.124 13.919 -4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.228 15.296 -2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.184 16.016 -3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.538 16.784 -2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.425 16.786 -3.829 1.00 0.00 H new ATOM 380 N HIS A 23 9.750 10.378 -3.627 1.00 0.00 N ATOM 381 CA HIS A 23 10.119 9.057 -4.120 1.00 0.00 C ATOM 382 C HIS A 23 9.037 8.500 -5.033 1.00 0.00 C ATOM 383 O HIS A 23 9.138 7.371 -5.507 1.00 0.00 O ATOM 384 CB HIS A 23 10.378 8.085 -2.965 1.00 0.00 C ATOM 385 CG HIS A 23 11.737 8.225 -2.342 1.00 0.00 C ATOM 386 ND1 HIS A 23 12.885 7.740 -2.930 1.00 0.00 N ATOM 387 CD2 HIS A 23 12.129 8.787 -1.173 1.00 0.00 C ATOM 388 CE1 HIS A 23 13.920 7.996 -2.154 1.00 0.00 C ATOM 389 NE2 HIS A 23 13.489 8.631 -1.080 1.00 0.00 N ATOM 0 H HIS A 23 8.998 10.380 -2.938 1.00 0.00 H new ATOM 0 HA HIS A 23 11.041 9.166 -4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.620 8.239 -2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.260 7.064 -3.329 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.489 9.269 -0.448 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.946 7.731 -2.362 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.072 8.953 -0.307 1.00 0.00 H new ATOM 398 N TRP A 24 8.003 9.294 -5.272 1.00 0.00 N ATOM 399 CA TRP A 24 6.902 8.883 -6.132 1.00 0.00 C ATOM 400 C TRP A 24 7.287 9.065 -7.599 1.00 0.00 C ATOM 401 O TRP A 24 7.602 10.173 -8.033 1.00 0.00 O ATOM 402 CB TRP A 24 5.642 9.693 -5.804 1.00 0.00 C ATOM 403 CG TRP A 24 4.434 9.264 -6.583 1.00 0.00 C ATOM 404 CD1 TRP A 24 4.058 9.704 -7.818 1.00 0.00 C ATOM 405 CD2 TRP A 24 3.443 8.316 -6.174 1.00 0.00 C ATOM 406 NE1 TRP A 24 2.899 9.082 -8.207 1.00 0.00 N ATOM 407 CE2 TRP A 24 2.501 8.224 -7.216 1.00 0.00 C ATOM 408 CE3 TRP A 24 3.263 7.528 -5.034 1.00 0.00 C ATOM 409 CZ2 TRP A 24 1.396 7.383 -7.149 1.00 0.00 C ATOM 410 CZ3 TRP A 24 2.164 6.693 -4.969 1.00 0.00 C ATOM 411 CH2 TRP A 24 1.244 6.623 -6.023 1.00 0.00 C ATOM 0 H TRP A 24 7.903 10.231 -4.881 1.00 0.00 H new ATOM 0 HA TRP A 24 6.691 7.828 -5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.429 9.602 -4.739 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.836 10.747 -6.001 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.595 10.435 -8.404 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.413 9.234 -9.091 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.970 7.571 -4.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 0.683 7.332 -7.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.012 6.084 -4.090 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.398 5.956 -5.944 1.00 0.00 H new ATOM 422 N ARG A 25 7.264 7.973 -8.352 1.00 0.00 N ATOM 423 CA ARG A 25 7.640 8.009 -9.758 1.00 0.00 C ATOM 424 C ARG A 25 6.436 8.299 -10.644 1.00 0.00 C ATOM 425 O ARG A 25 5.422 7.601 -10.588 1.00 0.00 O ATOM 426 CB ARG A 25 8.288 6.688 -10.176 1.00 0.00 C ATOM 427 CG ARG A 25 9.642 6.445 -9.533 1.00 0.00 C ATOM 428 CD ARG A 25 10.269 5.153 -10.029 1.00 0.00 C ATOM 429 NE ARG A 25 11.643 4.991 -9.555 1.00 0.00 N ATOM 430 CZ ARG A 25 12.493 4.083 -10.033 1.00 0.00 C ATOM 431 NH1 ARG A 25 12.101 3.217 -10.960 1.00 0.00 N ATOM 432 NH2 ARG A 25 13.734 4.035 -9.568 1.00 0.00 N ATOM 0 H ARG A 25 6.989 7.052 -8.012 1.00 0.00 H new ATOM 0 HA ARG A 25 8.362 8.815 -9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.619 5.867 -9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.402 6.676 -11.260 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.306 7.281 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.530 6.404 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.668 4.307 -9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.258 5.140 -11.119 1.00 0.00 H new ATOM 0 HE ARG A 25 11.970 5.610 -8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.144 3.244 -11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.757 2.525 -11.321 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.034 4.691 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.388 3.342 -9.931 1.00 0.00 H new ATOM 446 N ASN A 26 6.556 9.334 -11.459 1.00 0.00 N ATOM 447 CA ASN A 26 5.502 9.704 -12.398 1.00 0.00 C ATOM 448 C ASN A 26 5.868 9.277 -13.815 1.00 0.00 C ATOM 449 O ASN A 26 5.196 9.643 -14.781 1.00 0.00 O ATOM 450 CB ASN A 26 5.242 11.214 -12.361 1.00 0.00 C ATOM 451 CG ASN A 26 4.349 11.643 -11.209 1.00 0.00 C ATOM 452 OD1 ASN A 26 4.510 12.736 -10.659 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.387 10.805 -10.847 1.00 0.00 N ATOM 0 H ASN A 26 7.377 9.938 -11.491 1.00 0.00 H new ATOM 0 HA ASN A 26 4.592 9.185 -12.097 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.195 11.738 -12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.782 11.519 -13.301 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.750 11.056 -10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.284 9.910 -11.325 1.00 0.00 H new ATOM 460 N ASP A 27 6.933 8.498 -13.930 1.00 0.00 N ATOM 461 CA ASP A 27 7.402 8.023 -15.227 1.00 0.00 C ATOM 462 C ASP A 27 6.481 6.939 -15.772 1.00 0.00 C ATOM 463 O ASP A 27 5.659 6.388 -15.042 1.00 0.00 O ATOM 464 CB ASP A 27 8.834 7.496 -15.120 1.00 0.00 C ATOM 465 CG ASP A 27 9.855 8.610 -15.016 1.00 0.00 C ATOM 466 OD1 ASP A 27 9.850 9.348 -14.004 1.00 0.00 O ATOM 467 OD2 ASP A 27 10.670 8.759 -15.949 1.00 0.00 O ATOM 0 H ASP A 27 7.492 8.179 -13.139 1.00 0.00 H new ATOM 0 HA ASP A 27 7.390 8.865 -15.920 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.916 6.850 -14.246 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.058 6.882 -15.992 1.00 0.00 H new ATOM 472 N GLU A 28 6.622 6.644 -17.055 1.00 0.00 N ATOM 473 CA GLU A 28 5.749 5.687 -17.718 1.00 0.00 C ATOM 474 C GLU A 28 6.381 4.300 -17.760 1.00 0.00 C ATOM 475 O GLU A 28 7.452 4.114 -18.342 1.00 0.00 O ATOM 476 CB GLU A 28 5.438 6.155 -19.142 1.00 0.00 C ATOM 477 CG GLU A 28 4.602 7.421 -19.199 1.00 0.00 C ATOM 478 CD GLU A 28 3.177 7.199 -18.740 1.00 0.00 C ATOM 479 OE1 GLU A 28 2.944 7.099 -17.518 1.00 0.00 O ATOM 480 OE2 GLU A 28 2.279 7.120 -19.602 1.00 0.00 O ATOM 0 H GLU A 28 7.334 7.054 -17.659 1.00 0.00 H new ATOM 0 HA GLU A 28 4.824 5.626 -17.145 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.375 6.325 -19.672 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.913 5.359 -19.670 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.065 8.186 -18.576 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.596 7.802 -20.220 1.00 0.00 H new ATOM 487 N PRO A 29 5.738 3.317 -17.117 1.00 0.00 N ATOM 488 CA PRO A 29 6.151 1.916 -17.193 1.00 0.00 C ATOM 489 C PRO A 29 5.909 1.336 -18.584 1.00 0.00 C ATOM 490 O PRO A 29 4.941 1.691 -19.259 1.00 0.00 O ATOM 491 CB PRO A 29 5.268 1.211 -16.151 1.00 0.00 C ATOM 492 CG PRO A 29 4.690 2.309 -15.323 1.00 0.00 C ATOM 493 CD PRO A 29 4.575 3.488 -16.241 1.00 0.00 C ATOM 0 HA PRO A 29 7.217 1.791 -17.003 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.484 0.625 -16.631 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.852 0.523 -15.540 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.716 2.027 -14.923 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.331 2.537 -14.471 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.640 3.478 -16.800 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.611 4.432 -15.697 1.00 0.00 H new ATOM 501 N GLN A 30 6.793 0.450 -19.002 1.00 0.00 N ATOM 502 CA GLN A 30 6.734 -0.132 -20.332 1.00 0.00 C ATOM 503 C GLN A 30 6.080 -1.513 -20.267 1.00 0.00 C ATOM 504 O GLN A 30 6.350 -2.278 -19.345 1.00 0.00 O ATOM 505 CB GLN A 30 8.152 -0.216 -20.900 1.00 0.00 C ATOM 506 CG GLN A 30 8.221 -0.466 -22.396 1.00 0.00 C ATOM 507 CD GLN A 30 9.646 -0.466 -22.915 1.00 0.00 C ATOM 508 OE1 GLN A 30 9.968 -1.156 -23.880 1.00 0.00 O ATOM 509 NE2 GLN A 30 10.508 0.305 -22.276 1.00 0.00 N ATOM 0 H GLN A 30 7.570 0.114 -18.433 1.00 0.00 H new ATOM 0 HA GLN A 30 6.129 0.493 -20.989 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.674 0.714 -20.676 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.688 -1.014 -20.387 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.754 -1.424 -22.624 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.647 0.300 -22.917 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.200 0.863 -21.479 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.481 0.343 -22.580 1.00 0.00 H new ATOM 518 N PRO A 31 5.210 -1.834 -21.248 1.00 0.00 N ATOM 519 CA PRO A 31 4.410 -3.075 -21.285 1.00 0.00 C ATOM 520 C PRO A 31 5.130 -4.342 -20.807 1.00 0.00 C ATOM 521 O PRO A 31 4.537 -5.165 -20.109 1.00 0.00 O ATOM 522 CB PRO A 31 4.061 -3.194 -22.763 1.00 0.00 C ATOM 523 CG PRO A 31 3.923 -1.786 -23.223 1.00 0.00 C ATOM 524 CD PRO A 31 4.906 -0.977 -22.416 1.00 0.00 C ATOM 0 HA PRO A 31 3.565 -3.006 -20.600 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.841 -3.718 -23.315 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.137 -3.753 -22.910 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.134 -1.703 -24.289 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.906 -1.426 -23.071 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.805 -0.754 -22.991 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.479 -0.022 -22.109 1.00 0.00 H new ATOM 532 N HIS A 32 6.401 -4.508 -21.170 1.00 0.00 N ATOM 533 CA HIS A 32 7.132 -5.731 -20.824 1.00 0.00 C ATOM 534 C HIS A 32 7.330 -5.871 -19.310 1.00 0.00 C ATOM 535 O HIS A 32 7.696 -6.938 -18.821 1.00 0.00 O ATOM 536 CB HIS A 32 8.489 -5.793 -21.546 1.00 0.00 C ATOM 537 CG HIS A 32 9.537 -4.859 -21.012 1.00 0.00 C ATOM 538 ND1 HIS A 32 9.853 -3.659 -21.608 1.00 0.00 N ATOM 539 CD2 HIS A 32 10.354 -4.967 -19.935 1.00 0.00 C ATOM 540 CE1 HIS A 32 10.814 -3.068 -20.919 1.00 0.00 C ATOM 541 NE2 HIS A 32 11.134 -3.843 -19.900 1.00 0.00 N ATOM 0 H HIS A 32 6.942 -3.822 -21.697 1.00 0.00 H new ATOM 0 HA HIS A 32 6.521 -6.569 -21.160 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.869 -6.813 -21.486 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.332 -5.573 -22.602 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.384 -5.788 -19.234 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.261 -2.113 -21.151 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.847 -3.638 -19.200 1.00 0.00 H new ATOM 550 N GLN A 33 7.082 -4.798 -18.569 1.00 0.00 N ATOM 551 CA GLN A 33 7.255 -4.813 -17.121 1.00 0.00 C ATOM 552 C GLN A 33 6.064 -5.475 -16.430 1.00 0.00 C ATOM 553 O GLN A 33 6.033 -5.600 -15.210 1.00 0.00 O ATOM 554 CB GLN A 33 7.469 -3.392 -16.591 1.00 0.00 C ATOM 555 CG GLN A 33 8.821 -2.804 -16.977 1.00 0.00 C ATOM 556 CD GLN A 33 8.988 -1.359 -16.547 1.00 0.00 C ATOM 557 OE1 GLN A 33 8.686 -0.438 -17.303 1.00 0.00 O ATOM 558 NE2 GLN A 33 9.472 -1.151 -15.336 1.00 0.00 N ATOM 0 H GLN A 33 6.761 -3.907 -18.946 1.00 0.00 H new ATOM 0 HA GLN A 33 8.142 -5.404 -16.893 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.677 -2.746 -16.971 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.380 -3.399 -15.505 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.613 -3.404 -16.528 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.944 -2.871 -18.058 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.710 -1.943 -14.739 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.607 -0.198 -14.998 1.00 0.00 H new ATOM 567 N PHE A 34 5.086 -5.904 -17.214 1.00 0.00 N ATOM 568 CA PHE A 34 3.952 -6.638 -16.671 1.00 0.00 C ATOM 569 C PHE A 34 4.120 -8.134 -16.926 1.00 0.00 C ATOM 570 O PHE A 34 3.278 -8.945 -16.536 1.00 0.00 O ATOM 571 CB PHE A 34 2.643 -6.136 -17.281 1.00 0.00 C ATOM 572 CG PHE A 34 2.355 -4.692 -16.991 1.00 0.00 C ATOM 573 CD1 PHE A 34 1.767 -4.320 -15.794 1.00 0.00 C ATOM 574 CD2 PHE A 34 2.672 -3.709 -17.914 1.00 0.00 C ATOM 575 CE1 PHE A 34 1.499 -2.992 -15.523 1.00 0.00 C ATOM 576 CE2 PHE A 34 2.406 -2.381 -17.650 1.00 0.00 C ATOM 577 CZ PHE A 34 1.819 -2.021 -16.453 1.00 0.00 C ATOM 0 H PHE A 34 5.054 -5.758 -18.223 1.00 0.00 H new ATOM 0 HA PHE A 34 3.914 -6.469 -15.595 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.677 -6.280 -18.361 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.821 -6.744 -16.904 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.515 -5.076 -15.065 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.133 -3.985 -18.851 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.040 -2.713 -14.586 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.657 -1.624 -18.379 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.610 -0.982 -16.244 1.00 0.00 H new ATOM 587 N ASN A 35 5.224 -8.490 -17.583 1.00 0.00 N ATOM 588 CA ASN A 35 5.532 -9.889 -17.889 1.00 0.00 C ATOM 589 C ASN A 35 6.015 -10.616 -16.643 1.00 0.00 C ATOM 590 O ASN A 35 5.816 -11.824 -16.498 1.00 0.00 O ATOM 591 CB ASN A 35 6.594 -9.970 -18.992 1.00 0.00 C ATOM 592 CG ASN A 35 6.920 -11.398 -19.393 1.00 0.00 C ATOM 593 OD1 ASN A 35 6.068 -12.283 -19.338 1.00 0.00 O ATOM 594 ND2 ASN A 35 8.158 -11.634 -19.799 1.00 0.00 N ATOM 0 H ASN A 35 5.923 -7.826 -17.915 1.00 0.00 H new ATOM 0 HA ASN A 35 4.621 -10.373 -18.241 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.244 -9.423 -19.867 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.504 -9.477 -18.650 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.432 -12.576 -20.079 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.838 -10.874 -19.831 1.00 0.00 H new ATOM 601 N SER A 36 6.647 -9.877 -15.742 1.00 0.00 N ATOM 602 CA SER A 36 7.074 -10.432 -14.472 1.00 0.00 C ATOM 603 C SER A 36 5.852 -10.868 -13.670 1.00 0.00 C ATOM 604 O SER A 36 5.077 -10.036 -13.198 1.00 0.00 O ATOM 605 CB SER A 36 7.901 -9.400 -13.709 1.00 0.00 C ATOM 606 OG SER A 36 7.285 -8.125 -13.756 1.00 0.00 O ATOM 0 H SER A 36 6.874 -8.891 -15.870 1.00 0.00 H new ATOM 0 HA SER A 36 7.701 -11.307 -14.642 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.016 -9.715 -12.672 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.902 -9.341 -14.137 1.00 0.00 H new ATOM 0 HG SER A 36 7.951 -7.449 -13.999 1.00 0.00 H new ATOM 612 N THR A 37 5.675 -12.172 -13.541 1.00 0.00 N ATOM 613 CA THR A 37 4.449 -12.723 -12.997 1.00 0.00 C ATOM 614 C THR A 37 4.508 -12.845 -11.473 1.00 0.00 C ATOM 615 O THR A 37 3.495 -13.123 -10.826 1.00 0.00 O ATOM 616 CB THR A 37 4.139 -14.092 -13.644 1.00 0.00 C ATOM 617 OG1 THR A 37 2.833 -14.545 -13.263 1.00 0.00 O ATOM 618 CG2 THR A 37 5.176 -15.133 -13.252 1.00 0.00 C ATOM 0 H THR A 37 6.369 -12.870 -13.807 1.00 0.00 H new ATOM 0 HA THR A 37 3.641 -12.031 -13.236 1.00 0.00 H new ATOM 0 HB THR A 37 4.172 -13.960 -14.726 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.624 -14.220 -12.363 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.931 -16.085 -13.722 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.162 -14.807 -13.584 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.179 -15.253 -12.169 1.00 0.00 H new ATOM 626 N GLN A 38 5.688 -12.629 -10.900 1.00 0.00 N ATOM 627 CA GLN A 38 5.821 -12.605 -9.451 1.00 0.00 C ATOM 628 C GLN A 38 5.011 -11.447 -8.878 1.00 0.00 C ATOM 629 O GLN A 38 4.935 -10.382 -9.489 1.00 0.00 O ATOM 630 CB GLN A 38 7.294 -12.504 -9.034 1.00 0.00 C ATOM 631 CG GLN A 38 8.098 -13.753 -9.364 1.00 0.00 C ATOM 632 CD GLN A 38 7.478 -15.009 -8.784 1.00 0.00 C ATOM 633 OE1 GLN A 38 6.650 -15.657 -9.423 1.00 0.00 O ATOM 634 NE2 GLN A 38 7.872 -15.365 -7.572 1.00 0.00 N ATOM 0 H GLN A 38 6.556 -12.470 -11.412 1.00 0.00 H new ATOM 0 HA GLN A 38 5.431 -13.540 -9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.747 -11.646 -9.531 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.349 -12.317 -7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.176 -13.856 -10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.112 -13.641 -8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.561 -14.802 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.487 -16.203 -7.136 1.00 0.00 H new ATOM 643 N PRO A 39 4.402 -11.645 -7.696 1.00 0.00 N ATOM 644 CA PRO A 39 3.440 -10.698 -7.108 1.00 0.00 C ATOM 645 C PRO A 39 3.967 -9.270 -6.999 1.00 0.00 C ATOM 646 O PRO A 39 3.200 -8.313 -7.084 1.00 0.00 O ATOM 647 CB PRO A 39 3.166 -11.270 -5.709 1.00 0.00 C ATOM 648 CG PRO A 39 4.235 -12.282 -5.476 1.00 0.00 C ATOM 649 CD PRO A 39 4.595 -12.816 -6.830 1.00 0.00 C ATOM 0 HA PRO A 39 2.554 -10.612 -7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.196 -10.486 -4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.177 -11.725 -5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.101 -11.831 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.882 -13.080 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.622 -13.180 -6.863 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.953 -13.647 -7.122 1.00 0.00 H new ATOM 657 N PHE A 40 5.272 -9.130 -6.816 1.00 0.00 N ATOM 658 CA PHE A 40 5.881 -7.816 -6.647 1.00 0.00 C ATOM 659 C PHE A 40 6.479 -7.309 -7.954 1.00 0.00 C ATOM 660 O PHE A 40 7.085 -6.240 -7.981 1.00 0.00 O ATOM 661 CB PHE A 40 6.971 -7.864 -5.575 1.00 0.00 C ATOM 662 CG PHE A 40 6.478 -8.281 -4.222 1.00 0.00 C ATOM 663 CD1 PHE A 40 6.428 -9.619 -3.872 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.069 -7.334 -3.298 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.981 -10.008 -2.628 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.621 -7.717 -2.049 1.00 0.00 C ATOM 667 CZ PHE A 40 5.577 -9.057 -1.715 1.00 0.00 C ATOM 0 H PHE A 40 5.930 -9.909 -6.781 1.00 0.00 H new ATOM 0 HA PHE A 40 5.094 -7.129 -6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.751 -8.555 -5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.431 -6.879 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.743 -10.368 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.101 -6.286 -3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.947 -11.056 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.306 -6.971 -1.335 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.226 -9.359 -0.739 1.00 0.00 H new ATOM 677 N PHE A 41 6.311 -8.083 -9.032 1.00 0.00 N ATOM 678 CA PHE A 41 6.882 -7.738 -10.340 1.00 0.00 C ATOM 679 C PHE A 41 8.379 -7.449 -10.212 1.00 0.00 C ATOM 680 O PHE A 41 8.942 -6.643 -10.954 1.00 0.00 O ATOM 681 CB PHE A 41 6.147 -6.532 -10.942 1.00 0.00 C ATOM 682 CG PHE A 41 4.717 -6.815 -11.326 1.00 0.00 C ATOM 683 CD1 PHE A 41 3.711 -6.813 -10.372 1.00 0.00 C ATOM 684 CD2 PHE A 41 4.380 -7.076 -12.645 1.00 0.00 C ATOM 685 CE1 PHE A 41 2.400 -7.069 -10.726 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.070 -7.331 -13.004 1.00 0.00 C ATOM 687 CZ PHE A 41 2.080 -7.328 -12.043 1.00 0.00 C ATOM 0 H PHE A 41 5.783 -8.955 -9.025 1.00 0.00 H new ATOM 0 HA PHE A 41 6.755 -8.588 -11.010 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.164 -5.713 -10.223 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.689 -6.193 -11.825 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.955 -6.609 -9.340 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.151 -7.080 -13.402 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.626 -7.066 -9.972 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.822 -7.532 -14.036 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.056 -7.528 -12.321 1.00 0.00 H new ATOM 697 N MET A 42 9.020 -8.177 -9.300 1.00 0.00 N ATOM 698 CA MET A 42 10.393 -7.900 -8.872 1.00 0.00 C ATOM 699 C MET A 42 11.425 -8.212 -9.957 1.00 0.00 C ATOM 700 O MET A 42 12.623 -8.042 -9.743 1.00 0.00 O ATOM 701 CB MET A 42 10.703 -8.712 -7.609 1.00 0.00 C ATOM 702 CG MET A 42 10.662 -10.219 -7.825 1.00 0.00 C ATOM 703 SD MET A 42 10.836 -11.159 -6.291 1.00 0.00 S ATOM 704 CE MET A 42 9.343 -10.684 -5.418 1.00 0.00 C ATOM 0 H MET A 42 8.600 -8.981 -8.833 1.00 0.00 H new ATOM 0 HA MET A 42 10.463 -6.832 -8.666 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.691 -8.433 -7.242 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.987 -8.446 -6.832 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.720 -10.486 -8.303 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.460 -10.504 -8.511 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.294 -11.214 -4.467 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.355 -9.610 -5.235 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.472 -10.940 -6.021 1.00 0.00 H new ATOM 714 N ASP A 43 10.965 -8.665 -11.111 1.00 0.00 N ATOM 715 CA ASP A 43 11.863 -8.979 -12.217 1.00 0.00 C ATOM 716 C ASP A 43 12.006 -7.794 -13.158 1.00 0.00 C ATOM 717 O ASP A 43 12.908 -7.761 -13.993 1.00 0.00 O ATOM 718 CB ASP A 43 11.356 -10.188 -13.004 1.00 0.00 C ATOM 719 CG ASP A 43 11.464 -11.482 -12.233 1.00 0.00 C ATOM 720 OD1 ASP A 43 10.591 -11.743 -11.378 1.00 0.00 O ATOM 721 OD2 ASP A 43 12.417 -12.248 -12.487 1.00 0.00 O ATOM 0 H ASP A 43 9.977 -8.824 -11.309 1.00 0.00 H new ATOM 0 HA ASP A 43 12.837 -9.212 -11.788 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.315 -10.023 -13.282 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.923 -10.275 -13.931 1.00 0.00 H new ATOM 726 N THR A 44 11.114 -6.823 -13.032 1.00 0.00 N ATOM 727 CA THR A 44 11.123 -5.675 -13.927 1.00 0.00 C ATOM 728 C THR A 44 10.955 -4.370 -13.153 1.00 0.00 C ATOM 729 O THR A 44 11.691 -3.403 -13.368 1.00 0.00 O ATOM 730 CB THR A 44 10.000 -5.780 -14.974 1.00 0.00 C ATOM 731 OG1 THR A 44 8.737 -5.903 -14.311 1.00 0.00 O ATOM 732 CG2 THR A 44 10.210 -6.970 -15.903 1.00 0.00 C ATOM 0 H THR A 44 10.380 -6.806 -12.324 1.00 0.00 H new ATOM 0 HA THR A 44 12.089 -5.673 -14.431 1.00 0.00 H new ATOM 0 HB THR A 44 10.017 -4.874 -15.580 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.107 -5.251 -14.683 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.398 -7.013 -16.629 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.160 -6.860 -16.427 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.223 -7.890 -15.319 1.00 0.00 H new ATOM 740 N MET A 45 9.988 -4.350 -12.252 1.00 0.00 N ATOM 741 CA MET A 45 9.678 -3.155 -11.486 1.00 0.00 C ATOM 742 C MET A 45 10.571 -3.067 -10.257 1.00 0.00 C ATOM 743 O MET A 45 11.115 -4.075 -9.798 1.00 0.00 O ATOM 744 CB MET A 45 8.209 -3.173 -11.049 1.00 0.00 C ATOM 745 CG MET A 45 7.218 -3.344 -12.195 1.00 0.00 C ATOM 746 SD MET A 45 7.154 -1.920 -13.298 1.00 0.00 S ATOM 747 CE MET A 45 6.511 -0.662 -12.196 1.00 0.00 C ATOM 0 H MET A 45 9.400 -5.154 -12.032 1.00 0.00 H new ATOM 0 HA MET A 45 9.855 -2.286 -12.119 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.064 -3.983 -10.334 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.986 -2.243 -10.526 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.488 -4.229 -12.771 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.224 -3.522 -11.784 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.485 -0.422 -12.477 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.529 -1.032 -11.171 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.126 0.235 -12.269 1.00 0.00 H new ATOM 757 N GLU A 46 10.740 -1.860 -9.743 1.00 0.00 N ATOM 758 CA GLU A 46 11.427 -1.664 -8.476 1.00 0.00 C ATOM 759 C GLU A 46 10.444 -1.907 -7.336 1.00 0.00 C ATOM 760 O GLU A 46 9.267 -1.595 -7.471 1.00 0.00 O ATOM 761 CB GLU A 46 11.998 -0.245 -8.391 1.00 0.00 C ATOM 762 CG GLU A 46 13.146 0.014 -9.352 1.00 0.00 C ATOM 763 CD GLU A 46 14.444 -0.623 -8.900 1.00 0.00 C ATOM 764 OE1 GLU A 46 14.691 -1.799 -9.230 1.00 0.00 O ATOM 765 OE2 GLU A 46 15.232 0.059 -8.208 1.00 0.00 O ATOM 0 H GLU A 46 10.411 -1.001 -10.183 1.00 0.00 H new ATOM 0 HA GLU A 46 12.256 -2.368 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.200 0.470 -8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.341 -0.062 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.882 -0.369 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.291 1.089 -9.456 1.00 0.00 H new ATOM 772 N PRO A 47 10.903 -2.483 -6.213 1.00 0.00 N ATOM 773 CA PRO A 47 10.044 -2.773 -5.055 1.00 0.00 C ATOM 774 C PRO A 47 9.171 -1.586 -4.644 1.00 0.00 C ATOM 775 O PRO A 47 7.945 -1.689 -4.610 1.00 0.00 O ATOM 776 CB PRO A 47 11.050 -3.103 -3.953 1.00 0.00 C ATOM 777 CG PRO A 47 12.230 -3.653 -4.674 1.00 0.00 C ATOM 778 CD PRO A 47 12.293 -2.923 -5.990 1.00 0.00 C ATOM 0 HA PRO A 47 9.335 -3.573 -5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.315 -2.215 -3.379 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.643 -3.828 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.144 -3.500 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.126 -4.727 -4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.979 -2.077 -5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.641 -3.574 -6.792 1.00 0.00 H new ATOM 786 N LEU A 48 9.805 -0.453 -4.352 1.00 0.00 N ATOM 787 CA LEU A 48 9.080 0.743 -3.925 1.00 0.00 C ATOM 788 C LEU A 48 8.230 1.300 -5.068 1.00 0.00 C ATOM 789 O LEU A 48 7.188 1.911 -4.845 1.00 0.00 O ATOM 790 CB LEU A 48 10.063 1.806 -3.427 1.00 0.00 C ATOM 791 CG LEU A 48 9.427 3.064 -2.832 1.00 0.00 C ATOM 792 CD1 LEU A 48 8.632 2.723 -1.581 1.00 0.00 C ATOM 793 CD2 LEU A 48 10.493 4.102 -2.517 1.00 0.00 C ATOM 0 H LEU A 48 10.817 -0.337 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 48 8.414 0.468 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.708 1.355 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.703 2.102 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 48 8.743 3.483 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.188 3.631 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.843 2.015 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.295 2.278 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.023 4.990 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.201 3.690 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.020 4.371 -3.432 1.00 0.00 H new ATOM 805 N GLU A 49 8.682 1.063 -6.290 1.00 0.00 N ATOM 806 CA GLU A 49 7.983 1.514 -7.487 1.00 0.00 C ATOM 807 C GLU A 49 6.694 0.712 -7.686 1.00 0.00 C ATOM 808 O GLU A 49 5.649 1.263 -8.044 1.00 0.00 O ATOM 809 CB GLU A 49 8.922 1.362 -8.687 1.00 0.00 C ATOM 810 CG GLU A 49 8.304 1.678 -10.033 1.00 0.00 C ATOM 811 CD GLU A 49 9.296 1.482 -11.159 1.00 0.00 C ATOM 812 OE1 GLU A 49 9.741 0.331 -11.369 1.00 0.00 O ATOM 813 OE2 GLU A 49 9.660 2.479 -11.814 1.00 0.00 O ATOM 0 H GLU A 49 9.544 0.552 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 49 7.701 2.562 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.783 2.013 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.296 0.338 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.437 1.038 -10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.946 2.707 -10.037 1.00 0.00 H new ATOM 820 N TRP A 50 6.783 -0.590 -7.436 1.00 0.00 N ATOM 821 CA TRP A 50 5.633 -1.485 -7.493 1.00 0.00 C ATOM 822 C TRP A 50 4.540 -1.016 -6.538 1.00 0.00 C ATOM 823 O TRP A 50 3.351 -1.036 -6.874 1.00 0.00 O ATOM 824 CB TRP A 50 6.075 -2.908 -7.131 1.00 0.00 C ATOM 825 CG TRP A 50 4.943 -3.875 -6.959 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.294 -4.561 -7.941 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.335 -4.271 -5.722 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.316 -5.354 -7.395 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.323 -5.195 -6.035 1.00 0.00 C ATOM 830 CE3 TRP A 50 4.550 -3.934 -4.382 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.526 -5.785 -5.058 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.759 -4.520 -3.412 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.759 -5.438 -3.755 1.00 0.00 C ATOM 0 H TRP A 50 7.656 -1.055 -7.188 1.00 0.00 H new ATOM 0 HA TRP A 50 5.228 -1.477 -8.505 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.741 -3.279 -7.910 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.653 -2.874 -6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.517 -4.491 -8.995 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.686 -5.963 -7.917 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.321 -3.228 -4.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.752 -6.491 -5.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.915 -4.266 -2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.159 -5.882 -2.975 1.00 0.00 H new ATOM 844 N LEU A 51 4.964 -0.588 -5.355 1.00 0.00 N ATOM 845 CA LEU A 51 4.064 -0.065 -4.334 1.00 0.00 C ATOM 846 C LEU A 51 3.184 1.045 -4.902 1.00 0.00 C ATOM 847 O LEU A 51 1.986 1.109 -4.630 1.00 0.00 O ATOM 848 CB LEU A 51 4.891 0.478 -3.163 1.00 0.00 C ATOM 849 CG LEU A 51 4.094 1.013 -1.972 1.00 0.00 C ATOM 850 CD1 LEU A 51 3.346 -0.112 -1.279 1.00 0.00 C ATOM 851 CD2 LEU A 51 5.018 1.722 -0.994 1.00 0.00 C ATOM 0 H LEU A 51 5.945 -0.594 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 51 3.417 -0.872 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.548 -0.316 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.531 1.278 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 51 3.362 1.732 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.786 0.290 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.657 -0.579 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.058 -0.856 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.437 2.098 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.771 1.022 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.509 2.555 -1.496 1.00 0.00 H new ATOM 863 N GLN A 52 3.789 1.892 -5.721 1.00 0.00 N ATOM 864 CA GLN A 52 3.129 3.084 -6.230 1.00 0.00 C ATOM 865 C GLN A 52 2.273 2.771 -7.451 1.00 0.00 C ATOM 866 O GLN A 52 1.085 3.083 -7.483 1.00 0.00 O ATOM 867 CB GLN A 52 4.181 4.129 -6.602 1.00 0.00 C ATOM 868 CG GLN A 52 5.300 4.231 -5.585 1.00 0.00 C ATOM 869 CD GLN A 52 6.365 5.231 -5.972 1.00 0.00 C ATOM 870 OE1 GLN A 52 6.591 5.502 -7.150 1.00 0.00 O ATOM 871 NE2 GLN A 52 7.045 5.768 -4.977 1.00 0.00 N ATOM 0 H GLN A 52 4.747 1.773 -6.050 1.00 0.00 H new ATOM 0 HA GLN A 52 2.475 3.469 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.604 3.880 -7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.699 5.102 -6.703 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.880 4.512 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.759 3.250 -5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.825 5.515 -4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.791 6.436 -5.171 1.00 0.00 H new ATOM 880 N TRP A 53 2.883 2.149 -8.451 1.00 0.00 N ATOM 881 CA TRP A 53 2.226 1.948 -9.735 1.00 0.00 C ATOM 882 C TRP A 53 1.227 0.793 -9.708 1.00 0.00 C ATOM 883 O TRP A 53 0.171 0.868 -10.334 1.00 0.00 O ATOM 884 CB TRP A 53 3.265 1.704 -10.834 1.00 0.00 C ATOM 885 CG TRP A 53 2.649 1.405 -12.169 1.00 0.00 C ATOM 886 CD1 TRP A 53 2.667 0.210 -12.829 1.00 0.00 C ATOM 887 CD2 TRP A 53 1.905 2.309 -12.995 1.00 0.00 C ATOM 888 NE1 TRP A 53 1.983 0.316 -14.015 1.00 0.00 N ATOM 889 CE2 TRP A 53 1.505 1.595 -14.139 1.00 0.00 C ATOM 890 CE3 TRP A 53 1.538 3.655 -12.878 1.00 0.00 C ATOM 891 CZ2 TRP A 53 0.761 2.179 -15.160 1.00 0.00 C ATOM 892 CZ3 TRP A 53 0.798 4.233 -13.891 1.00 0.00 C ATOM 893 CH2 TRP A 53 0.414 3.494 -15.017 1.00 0.00 C ATOM 0 H TRP A 53 3.831 1.775 -8.398 1.00 0.00 H new ATOM 0 HA TRP A 53 1.668 2.860 -9.948 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.904 2.583 -10.924 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.906 0.872 -10.542 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.149 -0.688 -12.471 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.852 -0.435 -14.693 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.828 4.231 -12.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.469 1.614 -16.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.511 5.271 -13.814 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.169 3.973 -15.789 1.00 0.00 H new ATOM 904 N VAL A 54 1.550 -0.275 -8.999 1.00 0.00 N ATOM 905 CA VAL A 54 0.710 -1.462 -9.045 1.00 0.00 C ATOM 906 C VAL A 54 -0.178 -1.583 -7.814 1.00 0.00 C ATOM 907 O VAL A 54 -1.400 -1.582 -7.933 1.00 0.00 O ATOM 908 CB VAL A 54 1.534 -2.756 -9.198 1.00 0.00 C ATOM 909 CG1 VAL A 54 0.610 -3.962 -9.326 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.467 -2.665 -10.396 1.00 0.00 C ATOM 0 H VAL A 54 2.370 -0.347 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 54 0.081 -1.340 -9.927 1.00 0.00 H new ATOM 0 HB VAL A 54 2.144 -2.881 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.207 -4.868 -9.433 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.012 -4.040 -8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.027 -3.841 -10.202 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.038 -3.589 -10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.881 -2.513 -11.303 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.151 -1.827 -10.261 1.00 0.00 H new ATOM 920 N LEU A 55 0.437 -1.674 -6.640 1.00 0.00 N ATOM 921 CA LEU A 55 -0.294 -2.007 -5.420 1.00 0.00 C ATOM 922 C LEU A 55 -1.435 -1.031 -5.149 1.00 0.00 C ATOM 923 O LEU A 55 -2.595 -1.437 -5.097 1.00 0.00 O ATOM 924 CB LEU A 55 0.641 -2.061 -4.210 1.00 0.00 C ATOM 925 CG LEU A 55 -0.020 -2.555 -2.920 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.543 -3.972 -3.102 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.956 -2.496 -1.757 1.00 0.00 C ATOM 0 H LEU A 55 1.437 -1.523 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.726 -2.995 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.482 -2.713 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.048 -1.065 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.861 -1.899 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.010 -4.309 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.278 -3.988 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.284 -4.636 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.465 -2.852 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.818 -3.126 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.286 -1.468 -1.611 1.00 0.00 H new ATOM 939 N ILE A 56 -1.107 0.247 -4.990 1.00 0.00 N ATOM 940 CA ILE A 56 -2.109 1.253 -4.642 1.00 0.00 C ATOM 941 C ILE A 56 -3.286 1.277 -5.637 1.00 0.00 C ATOM 942 O ILE A 56 -4.431 1.083 -5.226 1.00 0.00 O ATOM 943 CB ILE A 56 -1.489 2.669 -4.499 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.458 2.682 -3.369 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.570 3.711 -4.241 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.260 4.006 -3.213 1.00 0.00 C ATOM 0 H ILE A 56 -0.160 0.611 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.504 0.959 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.990 2.921 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.957 2.437 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.278 1.899 -3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.111 4.695 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.274 3.719 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.100 3.466 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.975 3.938 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.789 4.244 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.466 4.790 -2.998 1.00 0.00 H new ATOM 958 N PRO A 57 -3.047 1.478 -6.953 1.00 0.00 N ATOM 959 CA PRO A 57 -4.133 1.572 -7.940 1.00 0.00 C ATOM 960 C PRO A 57 -4.901 0.262 -8.103 1.00 0.00 C ATOM 961 O PRO A 57 -6.114 0.270 -8.316 1.00 0.00 O ATOM 962 CB PRO A 57 -3.415 1.939 -9.246 1.00 0.00 C ATOM 963 CG PRO A 57 -2.072 2.421 -8.824 1.00 0.00 C ATOM 964 CD PRO A 57 -1.734 1.628 -7.602 1.00 0.00 C ATOM 0 HA PRO A 57 -4.884 2.301 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.335 1.077 -9.908 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.958 2.711 -9.792 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.333 2.266 -9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.088 3.489 -8.608 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.291 0.664 -7.852 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.022 2.149 -6.963 1.00 0.00 H new ATOM 972 N ARG A 58 -4.203 -0.865 -7.988 1.00 0.00 N ATOM 973 CA ARG A 58 -4.844 -2.167 -8.141 1.00 0.00 C ATOM 974 C ARG A 58 -5.765 -2.443 -6.958 1.00 0.00 C ATOM 975 O ARG A 58 -6.842 -3.018 -7.114 1.00 0.00 O ATOM 976 CB ARG A 58 -3.807 -3.282 -8.250 1.00 0.00 C ATOM 977 CG ARG A 58 -4.331 -4.520 -8.951 1.00 0.00 C ATOM 978 CD ARG A 58 -3.348 -5.670 -8.867 1.00 0.00 C ATOM 979 NE ARG A 58 -3.454 -6.393 -7.601 1.00 0.00 N ATOM 980 CZ ARG A 58 -2.454 -7.077 -7.046 1.00 0.00 C ATOM 981 NH1 ARG A 58 -1.253 -7.086 -7.615 1.00 0.00 N ATOM 982 NH2 ARG A 58 -2.657 -7.754 -5.923 1.00 0.00 N ATOM 0 H ARG A 58 -3.203 -0.903 -7.791 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.428 -2.145 -9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.937 -2.908 -8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.470 -3.554 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.279 -4.818 -8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.532 -4.288 -9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.525 -6.359 -9.693 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.334 -5.288 -8.982 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.349 -6.373 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.094 -6.568 -8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.490 -7.611 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.578 -7.751 -5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.892 -8.278 -5.498 1.00 0.00 H new ATOM 996 N MET A 59 -5.329 -2.031 -5.773 1.00 0.00 N ATOM 997 CA MET A 59 -6.131 -2.192 -4.566 1.00 0.00 C ATOM 998 C MET A 59 -7.380 -1.321 -4.617 1.00 0.00 C ATOM 999 O MET A 59 -8.391 -1.650 -4.003 1.00 0.00 O ATOM 1000 CB MET A 59 -5.313 -1.883 -3.310 1.00 0.00 C ATOM 1001 CG MET A 59 -4.314 -2.973 -2.959 1.00 0.00 C ATOM 1002 SD MET A 59 -5.098 -4.584 -2.747 1.00 0.00 S ATOM 1003 CE MET A 59 -3.692 -5.604 -2.318 1.00 0.00 C ATOM 0 H MET A 59 -4.425 -1.583 -5.622 1.00 0.00 H new ATOM 0 HA MET A 59 -6.443 -3.235 -4.518 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.779 -0.944 -3.455 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.992 -1.738 -2.470 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.562 -3.039 -3.745 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.793 -2.702 -2.041 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.023 -6.630 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.964 -5.580 -3.129 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.231 -5.224 -1.406 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.318 -0.215 -5.361 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.503 0.617 -5.572 1.00 0.00 C ATOM 1015 C HIS A 60 -9.610 -0.211 -6.207 1.00 0.00 C ATOM 1016 O HIS A 60 -10.766 -0.121 -5.810 1.00 0.00 O ATOM 1017 CB HIS A 60 -8.201 1.828 -6.460 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.635 3.007 -5.729 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.356 4.152 -5.473 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.403 3.228 -5.226 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.588 5.024 -4.849 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.393 4.490 -4.685 1.00 0.00 N ATOM 0 H HIS A 60 -6.472 0.122 -5.821 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.822 0.985 -4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.499 1.527 -7.237 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.119 2.134 -6.961 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.574 2.537 -5.245 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.887 6.010 -4.526 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.596 4.939 -4.233 1.00 0.00 H new ATOM 1031 N ASP A 61 -9.229 -1.031 -7.183 1.00 0.00 N ATOM 1032 CA ASP A 61 -10.163 -1.929 -7.860 1.00 0.00 C ATOM 1033 C ASP A 61 -10.733 -2.951 -6.881 1.00 0.00 C ATOM 1034 O ASP A 61 -11.942 -3.161 -6.821 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.455 -2.641 -9.020 1.00 0.00 C ATOM 1036 CG ASP A 61 -10.299 -3.731 -9.650 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -11.190 -3.410 -10.463 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -10.060 -4.923 -9.349 1.00 0.00 O ATOM 0 H ASP A 61 -8.270 -1.093 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.989 -1.338 -8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.191 -1.908 -9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.523 -3.075 -8.658 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.851 -3.557 -6.093 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.247 -4.562 -5.108 1.00 0.00 C ATOM 1045 C LEU A 62 -11.257 -3.983 -4.115 1.00 0.00 C ATOM 1046 O LEU A 62 -12.253 -4.626 -3.765 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.012 -5.064 -4.352 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.256 -6.232 -3.394 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -9.517 -7.514 -4.170 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.075 -6.409 -2.453 1.00 0.00 C ATOM 0 H LEU A 62 -8.849 -3.369 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.716 -5.393 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.259 -5.365 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.592 -4.233 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.139 -6.006 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.688 -8.333 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.397 -7.385 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.653 -7.744 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.268 -7.244 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.175 -6.611 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.934 -5.499 -1.870 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.990 -2.761 -3.671 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.846 -2.080 -2.710 1.00 0.00 C ATOM 1064 C LEU A 63 -13.145 -1.621 -3.364 1.00 0.00 C ATOM 1065 O LEU A 63 -14.217 -1.727 -2.768 1.00 0.00 O ATOM 1066 CB LEU A 63 -11.110 -0.878 -2.116 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.790 -1.202 -1.419 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -9.069 0.078 -1.035 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.032 -2.064 -0.194 1.00 0.00 C ATOM 0 H LEU A 63 -10.179 -2.217 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.093 -2.783 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.915 -0.162 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.769 -0.386 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.160 -1.761 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.130 -0.168 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.864 0.663 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.695 0.659 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.080 -2.285 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.679 -1.532 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.511 -2.996 -0.494 1.00 0.00 H new ATOM 1081 N ASP A 64 -13.042 -1.124 -4.591 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.203 -0.614 -5.320 1.00 0.00 C ATOM 1083 C ASP A 64 -15.156 -1.749 -5.687 1.00 0.00 C ATOM 1084 O ASP A 64 -16.376 -1.575 -5.698 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.747 0.131 -6.577 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.886 0.802 -7.313 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.478 1.760 -6.764 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -15.172 0.402 -8.458 1.00 0.00 O ATOM 0 H ASP A 64 -12.164 -1.062 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.739 0.081 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.008 0.883 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.251 -0.570 -7.248 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.590 -2.918 -5.971 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.389 -4.113 -6.239 1.00 0.00 C ATOM 1095 C ASN A 65 -15.953 -4.681 -4.943 1.00 0.00 C ATOM 1096 O ASN A 65 -16.771 -5.606 -4.960 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.558 -5.178 -6.961 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.208 -4.779 -8.380 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -14.960 -4.060 -9.038 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.069 -5.247 -8.861 1.00 0.00 N ATOM 0 H ASN A 65 -13.582 -3.065 -6.022 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.217 -3.824 -6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.640 -5.359 -6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.112 -6.117 -6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.784 -5.015 -9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.476 -5.840 -8.281 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.492 -4.124 -3.823 1.00 0.00 N ATOM 1108 CA LYS A 66 -16.009 -4.454 -2.494 1.00 0.00 C ATOM 1109 C LYS A 66 -15.696 -5.896 -2.109 1.00 0.00 C ATOM 1110 O LYS A 66 -16.448 -6.530 -1.372 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.516 -4.188 -2.431 1.00 0.00 C ATOM 1112 CG LYS A 66 -17.877 -2.746 -2.749 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.377 -2.522 -2.758 1.00 0.00 C ATOM 1114 CE LYS A 66 -19.710 -1.111 -3.205 1.00 0.00 C ATOM 1115 NZ LYS A 66 -21.174 -0.862 -3.229 1.00 0.00 N ATOM 0 H LYS A 66 -14.746 -3.428 -3.812 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.508 -3.811 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.026 -4.848 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.882 -4.438 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.417 -2.087 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.465 -2.475 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.852 -3.241 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.781 -2.697 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.232 -0.397 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.297 -0.940 -4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.355 0.114 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.628 -1.526 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.565 -1.000 -2.275 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.564 -6.394 -2.590 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.113 -7.741 -2.261 1.00 0.00 C ATOM 1131 C GLN A 67 -13.759 -7.841 -0.778 1.00 0.00 C ATOM 1132 O GLN A 67 -13.292 -6.869 -0.186 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.904 -8.108 -3.127 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.256 -8.345 -4.585 1.00 0.00 C ATOM 1135 CD GLN A 67 -13.938 -9.681 -4.798 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -13.282 -10.688 -5.067 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -15.254 -9.712 -4.660 1.00 0.00 N ATOM 0 H GLN A 67 -13.938 -5.883 -3.212 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.921 -8.444 -2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.166 -7.309 -3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.436 -9.006 -2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.909 -7.545 -4.934 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.349 -8.302 -5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.764 -8.857 -4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.758 -10.591 -4.777 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.967 -9.020 -0.162 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.739 -9.237 1.282 1.00 0.00 C ATOM 1148 C PRO A 68 -12.263 -9.147 1.693 1.00 0.00 C ATOM 1149 O PRO A 68 -11.908 -9.513 2.816 1.00 0.00 O ATOM 1150 CB PRO A 68 -14.265 -10.661 1.523 1.00 0.00 C ATOM 1151 CG PRO A 68 -15.083 -10.991 0.323 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.462 -10.239 -0.816 1.00 0.00 C ATOM 0 HA PRO A 68 -14.236 -8.467 1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.444 -11.367 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.864 -10.709 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.080 -12.064 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.123 -10.696 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.656 -10.804 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.188 -10.014 -1.597 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.423 -8.666 0.773 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.994 -8.447 1.018 1.00 0.00 C ATOM 1162 C LEU A 69 -9.222 -9.766 1.093 1.00 0.00 C ATOM 1163 O LEU A 69 -9.795 -10.820 1.368 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.769 -7.613 2.291 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.356 -6.198 2.256 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -10.023 -5.447 3.536 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.843 -5.438 1.044 1.00 0.00 C ATOM 0 H LEU A 69 -11.717 -8.415 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.606 -7.885 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.201 -8.147 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.697 -7.540 2.474 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.440 -6.279 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.449 -4.445 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.440 -5.981 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.941 -5.377 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.270 -4.435 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.756 -5.369 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.134 -5.964 0.135 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.904 -9.716 0.814 1.00 0.00 N ATOM 1180 CA PRO A 70 -7.031 -10.895 0.841 1.00 0.00 C ATOM 1181 C PRO A 70 -7.106 -11.660 2.165 1.00 0.00 C ATOM 1182 O PRO A 70 -7.000 -12.886 2.188 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.621 -10.317 0.624 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.757 -8.841 0.809 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.163 -8.510 0.419 1.00 0.00 C ATOM 0 HA PRO A 70 -7.323 -11.624 0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.911 -10.737 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.250 -10.554 -0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.561 -8.557 1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.042 -8.301 0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.528 -7.623 0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.251 -8.314 -0.650 1.00 0.00 H new ATOM 1193 N GLY A 71 -7.271 -10.933 3.265 1.00 0.00 N ATOM 1194 CA GLY A 71 -7.408 -11.567 4.564 1.00 0.00 C ATOM 1195 C GLY A 71 -6.075 -11.772 5.253 1.00 0.00 C ATOM 1196 O GLY A 71 -5.969 -11.641 6.472 1.00 0.00 O ATOM 0 H GLY A 71 -7.312 -9.914 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.050 -10.955 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.903 -12.531 4.444 1.00 0.00 H new ATOM 1200 N ALA A 72 -5.056 -12.082 4.466 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.727 -12.327 4.987 1.00 0.00 C ATOM 1202 C ALA A 72 -2.689 -11.677 4.087 1.00 0.00 C ATOM 1203 O ALA A 72 -1.990 -12.345 3.323 1.00 0.00 O ATOM 1204 CB ALA A 72 -3.475 -13.820 5.113 1.00 0.00 C ATOM 0 H ALA A 72 -5.130 -12.170 3.452 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.648 -11.886 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.472 -13.988 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.208 -14.257 5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.564 -14.288 4.133 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.633 -10.363 4.155 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.714 -9.582 3.341 1.00 0.00 C ATOM 1212 C PHE A 73 -0.673 -8.919 4.235 1.00 0.00 C ATOM 1213 O PHE A 73 -1.019 -8.353 5.271 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.505 -8.530 2.560 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.705 -7.781 1.534 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.421 -8.356 0.306 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.250 -6.497 1.791 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.695 -7.667 -0.645 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.527 -5.802 0.841 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.248 -6.388 -0.377 1.00 0.00 C ATOM 0 H PHE A 73 -3.220 -9.804 4.774 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.197 -10.232 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.342 -9.019 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.928 -7.814 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.771 -9.354 0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.463 -6.035 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.477 -8.128 -1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.180 -4.801 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.319 -5.847 -1.120 1.00 0.00 H new ATOM 1230 N ALA A 74 0.595 -9.018 3.851 1.00 0.00 N ATOM 1231 CA ALA A 74 1.676 -8.424 4.628 1.00 0.00 C ATOM 1232 C ALA A 74 2.864 -8.069 3.739 1.00 0.00 C ATOM 1233 O ALA A 74 3.579 -8.952 3.263 1.00 0.00 O ATOM 1234 CB ALA A 74 2.111 -9.371 5.738 1.00 0.00 C ATOM 0 H ALA A 74 0.899 -9.504 3.007 1.00 0.00 H new ATOM 0 HA ALA A 74 1.303 -7.503 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.919 -8.914 6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.267 -9.570 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.459 -10.307 5.302 1.00 0.00 H new ATOM 1240 N VAL A 75 3.069 -6.778 3.507 1.00 0.00 N ATOM 1241 CA VAL A 75 4.194 -6.322 2.698 1.00 0.00 C ATOM 1242 C VAL A 75 5.340 -5.800 3.556 1.00 0.00 C ATOM 1243 O VAL A 75 6.483 -5.742 3.097 1.00 0.00 O ATOM 1244 CB VAL A 75 3.785 -5.231 1.687 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.975 -5.830 0.554 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.008 -4.117 2.374 1.00 0.00 C ATOM 0 H VAL A 75 2.474 -6.031 3.866 1.00 0.00 H new ATOM 0 HA VAL A 75 4.532 -7.200 2.148 1.00 0.00 H new ATOM 0 HB VAL A 75 4.694 -4.799 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.696 -5.045 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.572 -6.583 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.074 -6.294 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.731 -3.360 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.107 -4.529 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.629 -3.663 3.146 1.00 0.00 H new ATOM 1256 N ALA A 76 5.039 -5.433 4.800 1.00 0.00 N ATOM 1257 CA ALA A 76 6.053 -4.900 5.712 1.00 0.00 C ATOM 1258 C ALA A 76 7.282 -5.822 5.826 1.00 0.00 C ATOM 1259 O ALA A 76 8.411 -5.365 5.625 1.00 0.00 O ATOM 1260 CB ALA A 76 5.454 -4.624 7.085 1.00 0.00 C ATOM 0 H ALA A 76 4.103 -5.494 5.201 1.00 0.00 H new ATOM 0 HA ALA A 76 6.400 -3.958 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.226 -4.229 7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.649 -3.895 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.059 -5.550 7.502 1.00 0.00 H new ATOM 1266 N PRO A 77 7.099 -7.137 6.117 1.00 0.00 N ATOM 1267 CA PRO A 77 8.225 -8.077 6.243 1.00 0.00 C ATOM 1268 C PRO A 77 9.047 -8.190 4.960 1.00 0.00 C ATOM 1269 O PRO A 77 10.214 -8.584 4.990 1.00 0.00 O ATOM 1270 CB PRO A 77 7.555 -9.421 6.561 1.00 0.00 C ATOM 1271 CG PRO A 77 6.137 -9.258 6.138 1.00 0.00 C ATOM 1272 CD PRO A 77 5.810 -7.811 6.362 1.00 0.00 C ATOM 0 HA PRO A 77 8.930 -7.747 7.006 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.035 -10.238 6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.625 -9.655 7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.007 -9.531 5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.478 -9.903 6.720 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.036 -7.462 5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.447 -7.631 7.374 1.00 0.00 H new ATOM 1280 N TYR A 78 8.440 -7.834 3.834 1.00 0.00 N ATOM 1281 CA TYR A 78 9.126 -7.891 2.554 1.00 0.00 C ATOM 1282 C TYR A 78 10.007 -6.660 2.371 1.00 0.00 C ATOM 1283 O TYR A 78 11.168 -6.763 1.965 1.00 0.00 O ATOM 1284 CB TYR A 78 8.121 -7.992 1.404 1.00 0.00 C ATOM 1285 CG TYR A 78 8.777 -8.087 0.046 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.192 -9.311 -0.455 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.990 -6.953 -0.729 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.804 -9.405 -1.688 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.600 -7.039 -1.964 1.00 0.00 C ATOM 1290 CZ TYR A 78 10.005 -8.267 -2.440 1.00 0.00 C ATOM 1291 OH TYR A 78 10.622 -8.360 -3.666 1.00 0.00 O ATOM 0 H TYR A 78 7.476 -7.504 3.784 1.00 0.00 H new ATOM 0 HA TYR A 78 9.754 -8.782 2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.490 -8.867 1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.467 -7.120 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.034 -10.205 0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.673 -5.989 -0.359 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.124 -10.366 -2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.759 -6.149 -2.554 1.00 0.00 H new ATOM 0 HH TYR A 78 10.686 -7.469 -4.068 1.00 0.00 H new ATOM 1301 N TYR A 79 9.458 -5.495 2.693 1.00 0.00 N ATOM 1302 CA TYR A 79 10.180 -4.241 2.523 1.00 0.00 C ATOM 1303 C TYR A 79 11.316 -4.113 3.529 1.00 0.00 C ATOM 1304 O TYR A 79 12.175 -3.249 3.391 1.00 0.00 O ATOM 1305 CB TYR A 79 9.233 -3.047 2.623 1.00 0.00 C ATOM 1306 CG TYR A 79 8.424 -2.825 1.364 1.00 0.00 C ATOM 1307 CD1 TYR A 79 7.275 -3.561 1.109 1.00 0.00 C ATOM 1308 CD2 TYR A 79 8.817 -1.878 0.428 1.00 0.00 C ATOM 1309 CE1 TYR A 79 6.541 -3.363 -0.043 1.00 0.00 C ATOM 1310 CE2 TYR A 79 8.088 -1.673 -0.728 1.00 0.00 C ATOM 1311 CZ TYR A 79 6.951 -2.418 -0.957 1.00 0.00 C ATOM 1312 OH TYR A 79 6.225 -2.219 -2.105 1.00 0.00 O ATOM 0 H TYR A 79 8.517 -5.393 3.073 1.00 0.00 H new ATOM 0 HA TYR A 79 10.618 -4.247 1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.554 -3.198 3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.812 -2.149 2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.950 -4.302 1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.707 -1.292 0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.650 -3.946 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.407 -0.934 -1.448 1.00 0.00 H new ATOM 0 HH TYR A 79 6.836 -2.073 -2.857 1.00 0.00 H new ATOM 1322 N GLU A 80 11.319 -4.978 4.535 1.00 0.00 N ATOM 1323 CA GLU A 80 12.452 -5.074 5.446 1.00 0.00 C ATOM 1324 C GLU A 80 13.723 -5.421 4.668 1.00 0.00 C ATOM 1325 O GLU A 80 14.827 -5.020 5.037 1.00 0.00 O ATOM 1326 CB GLU A 80 12.194 -6.141 6.510 1.00 0.00 C ATOM 1327 CG GLU A 80 13.313 -6.256 7.531 1.00 0.00 C ATOM 1328 CD GLU A 80 13.222 -7.511 8.371 1.00 0.00 C ATOM 1329 OE1 GLU A 80 12.563 -7.478 9.431 1.00 0.00 O ATOM 1330 OE2 GLU A 80 13.832 -8.531 7.982 1.00 0.00 O ATOM 0 H GLU A 80 10.554 -5.620 4.740 1.00 0.00 H new ATOM 0 HA GLU A 80 12.582 -4.110 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.262 -5.911 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.057 -7.106 6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.272 -6.241 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.290 -5.385 8.186 1.00 0.00 H new ATOM 1337 N MET A 81 13.552 -6.168 3.582 1.00 0.00 N ATOM 1338 CA MET A 81 14.671 -6.582 2.744 1.00 0.00 C ATOM 1339 C MET A 81 14.806 -5.663 1.538 1.00 0.00 C ATOM 1340 O MET A 81 15.911 -5.348 1.096 1.00 0.00 O ATOM 1341 CB MET A 81 14.462 -8.012 2.247 1.00 0.00 C ATOM 1342 CG MET A 81 14.144 -9.014 3.340 1.00 0.00 C ATOM 1343 SD MET A 81 13.804 -10.659 2.682 1.00 0.00 S ATOM 1344 CE MET A 81 12.488 -10.297 1.521 1.00 0.00 C ATOM 0 H MET A 81 12.643 -6.501 3.260 1.00 0.00 H new ATOM 0 HA MET A 81 15.577 -6.529 3.347 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.650 -8.016 1.520 1.00 0.00 H new ATOM 0 HB3 MET A 81 15.361 -8.337 1.723 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.982 -9.069 4.035 1.00 0.00 H new ATOM 0 HG3 MET A 81 13.281 -8.667 3.908 1.00 0.00 H new ATOM 0 HE1 MET A 81 11.860 -11.179 1.397 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.885 -9.472 1.900 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.918 -10.019 0.559 1.00 0.00 H new ATOM 1354 N ALA A 82 13.666 -5.239 1.009 1.00 0.00 N ATOM 1355 CA ALA A 82 13.625 -4.479 -0.233 1.00 0.00 C ATOM 1356 C ALA A 82 14.010 -3.016 -0.032 1.00 0.00 C ATOM 1357 O ALA A 82 14.486 -2.360 -0.960 1.00 0.00 O ATOM 1358 CB ALA A 82 12.240 -4.577 -0.852 1.00 0.00 C ATOM 0 H ALA A 82 12.750 -5.410 1.425 1.00 0.00 H new ATOM 0 HA ALA A 82 14.362 -4.914 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.215 -4.007 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.008 -5.621 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.502 -4.173 -0.159 1.00 0.00 H new ATOM 1364 N LEU A 83 13.810 -2.505 1.170 1.00 0.00 N ATOM 1365 CA LEU A 83 14.070 -1.102 1.445 1.00 0.00 C ATOM 1366 C LEU A 83 15.353 -0.952 2.260 1.00 0.00 C ATOM 1367 O LEU A 83 15.696 -1.829 3.057 1.00 0.00 O ATOM 1368 CB LEU A 83 12.874 -0.497 2.186 1.00 0.00 C ATOM 1369 CG LEU A 83 12.788 1.031 2.182 1.00 0.00 C ATOM 1370 CD1 LEU A 83 12.761 1.564 0.757 1.00 0.00 C ATOM 1371 CD2 LEU A 83 11.548 1.483 2.936 1.00 0.00 C ATOM 0 H LEU A 83 13.469 -3.039 1.970 1.00 0.00 H new ATOM 0 HA LEU A 83 14.206 -0.566 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.960 -0.894 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 83 12.903 -0.837 3.221 1.00 0.00 H new ATOM 0 HG LEU A 83 13.672 1.430 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.700 2.652 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.670 1.261 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.894 1.161 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.494 2.572 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.660 1.073 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.599 1.129 3.966 1.00 0.00 H new ATOM 1383 N ALA A 84 16.067 0.146 2.028 1.00 0.00 N ATOM 1384 CA ALA A 84 17.336 0.415 2.700 1.00 0.00 C ATOM 1385 C ALA A 84 17.196 0.367 4.218 1.00 0.00 C ATOM 1386 O ALA A 84 16.415 1.118 4.808 1.00 0.00 O ATOM 1387 CB ALA A 84 17.881 1.765 2.262 1.00 0.00 C ATOM 0 H ALA A 84 15.784 0.873 1.371 1.00 0.00 H new ATOM 0 HA ALA A 84 18.037 -0.368 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 84 18.827 1.957 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.041 1.760 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 84 17.167 2.547 2.520 1.00 0.00 H new ATOM 1393 N THR A 85 17.975 -0.506 4.840 1.00 0.00 N ATOM 1394 CA THR A 85 17.920 -0.716 6.279 1.00 0.00 C ATOM 1395 C THR A 85 18.480 0.479 7.044 1.00 0.00 C ATOM 1396 O THR A 85 17.860 0.969 7.985 1.00 0.00 O ATOM 1397 CB THR A 85 18.706 -1.980 6.663 1.00 0.00 C ATOM 1398 OG1 THR A 85 19.306 -2.544 5.486 1.00 0.00 O ATOM 1399 CG2 THR A 85 17.798 -3.007 7.324 1.00 0.00 C ATOM 0 H THR A 85 18.662 -1.088 4.362 1.00 0.00 H new ATOM 0 HA THR A 85 16.871 -0.837 6.551 1.00 0.00 H new ATOM 0 HB THR A 85 19.482 -1.704 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 85 19.809 -3.349 5.729 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.379 -3.891 7.586 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.362 -2.579 8.227 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.002 -3.287 6.634 1.00 0.00 H new ATOM 1407 N ASP A 86 19.639 0.966 6.620 1.00 0.00 N ATOM 1408 CA ASP A 86 20.319 2.048 7.317 1.00 0.00 C ATOM 1409 C ASP A 86 19.691 3.397 6.998 1.00 0.00 C ATOM 1410 O ASP A 86 20.199 4.440 7.410 1.00 0.00 O ATOM 1411 CB ASP A 86 21.794 2.076 6.934 1.00 0.00 C ATOM 1412 CG ASP A 86 22.525 0.810 7.318 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.748 0.583 8.526 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.894 0.038 6.408 1.00 0.00 O ATOM 0 H ASP A 86 20.129 0.626 5.793 1.00 0.00 H new ATOM 0 HA ASP A 86 20.219 1.864 8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.882 2.228 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 86 22.274 2.927 7.417 1.00 0.00 H new ATOM 1419 N HIS A 87 18.589 3.373 6.270 1.00 0.00 N ATOM 1420 CA HIS A 87 17.921 4.593 5.852 1.00 0.00 C ATOM 1421 C HIS A 87 16.649 4.795 6.675 1.00 0.00 C ATOM 1422 O HIS A 87 15.618 4.192 6.384 1.00 0.00 O ATOM 1423 CB HIS A 87 17.599 4.505 4.360 1.00 0.00 C ATOM 1424 CG HIS A 87 17.335 5.823 3.704 1.00 0.00 C ATOM 1425 ND1 HIS A 87 18.265 6.836 3.654 1.00 0.00 N ATOM 1426 CD2 HIS A 87 16.248 6.280 3.046 1.00 0.00 C ATOM 1427 CE1 HIS A 87 17.763 7.858 2.992 1.00 0.00 C ATOM 1428 NE2 HIS A 87 16.539 7.547 2.609 1.00 0.00 N ATOM 0 H HIS A 87 18.135 2.516 5.954 1.00 0.00 H new ATOM 0 HA HIS A 87 18.574 5.450 6.019 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.431 4.020 3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.726 3.866 4.227 1.00 0.00 H new ATOM 0 HD2 HIS A 87 15.321 5.747 2.892 1.00 0.00 H new ATOM 0 HE1 HIS A 87 18.268 8.792 2.796 1.00 0.00 H new ATOM 0 HE2 HIS A 87 15.912 8.150 2.076 1.00 0.00 H new ATOM 1437 N PRO A 88 16.721 5.642 7.721 1.00 0.00 N ATOM 1438 CA PRO A 88 15.627 5.856 8.687 1.00 0.00 C ATOM 1439 C PRO A 88 14.268 6.158 8.051 1.00 0.00 C ATOM 1440 O PRO A 88 13.232 5.907 8.666 1.00 0.00 O ATOM 1441 CB PRO A 88 16.094 7.055 9.527 1.00 0.00 C ATOM 1442 CG PRO A 88 17.297 7.596 8.830 1.00 0.00 C ATOM 1443 CD PRO A 88 17.894 6.451 8.068 1.00 0.00 C ATOM 0 HA PRO A 88 15.454 4.945 9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.311 7.810 9.599 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.336 6.749 10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.024 8.410 8.158 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.012 8.001 9.546 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.427 6.791 7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.607 5.891 8.673 1.00 0.00 H new ATOM 1451 N GLN A 89 14.264 6.682 6.823 1.00 0.00 N ATOM 1452 CA GLN A 89 13.009 6.961 6.118 1.00 0.00 C ATOM 1453 C GLN A 89 12.158 5.697 5.976 1.00 0.00 C ATOM 1454 O GLN A 89 10.943 5.779 5.789 1.00 0.00 O ATOM 1455 CB GLN A 89 13.264 7.549 4.727 1.00 0.00 C ATOM 1456 CG GLN A 89 13.949 8.905 4.738 1.00 0.00 C ATOM 1457 CD GLN A 89 13.988 9.545 3.361 1.00 0.00 C ATOM 1458 OE1 GLN A 89 13.986 8.856 2.339 1.00 0.00 O ATOM 1459 NE2 GLN A 89 14.046 10.865 3.324 1.00 0.00 N ATOM 0 H GLN A 89 15.107 6.920 6.300 1.00 0.00 H new ATOM 0 HA GLN A 89 12.470 7.692 6.720 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.876 6.850 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.312 7.640 4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.427 9.567 5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.967 8.792 5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.045 11.400 4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.091 11.349 2.427 1.00 0.00 H new ATOM 1468 N ARG A 90 12.798 4.531 6.069 1.00 0.00 N ATOM 1469 CA ARG A 90 12.090 3.262 5.950 1.00 0.00 C ATOM 1470 C ARG A 90 11.093 3.086 7.090 1.00 0.00 C ATOM 1471 O ARG A 90 10.072 2.433 6.921 1.00 0.00 O ATOM 1472 CB ARG A 90 13.060 2.074 5.937 1.00 0.00 C ATOM 1473 CG ARG A 90 13.823 1.885 7.236 1.00 0.00 C ATOM 1474 CD ARG A 90 14.488 0.523 7.296 1.00 0.00 C ATOM 1475 NE ARG A 90 15.314 0.379 8.490 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.937 -0.258 9.596 1.00 0.00 C ATOM 1477 NH1 ARG A 90 13.749 -0.842 9.665 1.00 0.00 N ATOM 1478 NH2 ARG A 90 15.752 -0.320 10.635 1.00 0.00 N ATOM 0 H ARG A 90 13.802 4.442 6.226 1.00 0.00 H new ATOM 0 HA ARG A 90 11.554 3.285 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.501 1.164 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.774 2.210 5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.579 2.665 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.141 1.996 8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.725 -0.255 7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.103 0.379 6.408 1.00 0.00 H new ATOM 0 HE ARG A 90 16.245 0.795 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.116 -0.805 8.866 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.468 -1.328 10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.671 0.121 10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.462 -0.808 11.482 1.00 0.00 H new ATOM 1492 N ALA A 91 11.391 3.680 8.243 1.00 0.00 N ATOM 1493 CA ALA A 91 10.529 3.549 9.412 1.00 0.00 C ATOM 1494 C ALA A 91 9.157 4.148 9.134 1.00 0.00 C ATOM 1495 O ALA A 91 8.133 3.590 9.523 1.00 0.00 O ATOM 1496 CB ALA A 91 11.169 4.211 10.624 1.00 0.00 C ATOM 0 H ALA A 91 12.220 4.255 8.391 1.00 0.00 H new ATOM 0 HA ALA A 91 10.401 2.488 9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.512 4.103 11.487 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.126 3.735 10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.328 5.270 10.419 1.00 0.00 H new ATOM 1502 N LEU A 92 9.154 5.277 8.437 1.00 0.00 N ATOM 1503 CA LEU A 92 7.918 5.943 8.044 1.00 0.00 C ATOM 1504 C LEU A 92 7.090 5.037 7.141 1.00 0.00 C ATOM 1505 O LEU A 92 5.880 4.883 7.326 1.00 0.00 O ATOM 1506 CB LEU A 92 8.240 7.244 7.307 1.00 0.00 C ATOM 1507 CG LEU A 92 8.992 8.292 8.126 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.512 9.395 7.221 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.089 8.877 9.198 1.00 0.00 C ATOM 0 H LEU A 92 10.001 5.754 8.130 1.00 0.00 H new ATOM 0 HA LEU A 92 7.343 6.167 8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.832 7.004 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.306 7.683 6.956 1.00 0.00 H new ATOM 0 HG LEU A 92 9.839 7.807 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.046 10.134 7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.189 8.969 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.675 9.874 6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.641 9.622 9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.225 9.348 8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.752 8.082 9.864 1.00 0.00 H new ATOM 1521 N ILE A 93 7.762 4.432 6.172 1.00 0.00 N ATOM 1522 CA ILE A 93 7.103 3.585 5.189 1.00 0.00 C ATOM 1523 C ILE A 93 6.648 2.266 5.813 1.00 0.00 C ATOM 1524 O ILE A 93 5.524 1.829 5.589 1.00 0.00 O ATOM 1525 CB ILE A 93 8.033 3.304 3.988 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.491 4.627 3.365 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.328 2.440 2.948 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.440 4.463 2.198 1.00 0.00 C ATOM 0 H ILE A 93 8.771 4.513 6.046 1.00 0.00 H new ATOM 0 HA ILE A 93 6.224 4.122 4.833 1.00 0.00 H new ATOM 0 HB ILE A 93 8.907 2.758 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.614 5.182 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.977 5.229 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.002 2.255 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.040 1.490 3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.438 2.956 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.717 5.445 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.336 3.937 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.952 3.889 1.410 1.00 0.00 H new ATOM 1540 N LEU A 94 7.515 1.650 6.610 1.00 0.00 N ATOM 1541 CA LEU A 94 7.201 0.373 7.248 1.00 0.00 C ATOM 1542 C LEU A 94 6.006 0.503 8.184 1.00 0.00 C ATOM 1543 O LEU A 94 5.116 -0.345 8.179 1.00 0.00 O ATOM 1544 CB LEU A 94 8.411 -0.164 8.018 1.00 0.00 C ATOM 1545 CG LEU A 94 9.587 -0.616 7.149 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.756 -1.048 8.019 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.165 -1.750 6.227 1.00 0.00 C ATOM 0 H LEU A 94 8.442 2.014 6.831 1.00 0.00 H new ATOM 0 HA LEU A 94 6.945 -0.333 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.761 0.611 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.088 -1.006 8.630 1.00 0.00 H new ATOM 0 HG LEU A 94 9.905 0.227 6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.583 -1.366 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.076 -0.211 8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.448 -1.877 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.014 -2.058 5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.821 -2.595 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.357 -1.411 5.579 1.00 0.00 H new ATOM 1559 N ALA A 95 5.981 1.571 8.973 1.00 0.00 N ATOM 1560 CA ALA A 95 4.861 1.821 9.872 1.00 0.00 C ATOM 1561 C ALA A 95 3.575 1.993 9.079 1.00 0.00 C ATOM 1562 O ALA A 95 2.506 1.534 9.489 1.00 0.00 O ATOM 1563 CB ALA A 95 5.121 3.053 10.726 1.00 0.00 C ATOM 0 H ALA A 95 6.719 2.274 9.009 1.00 0.00 H new ATOM 0 HA ALA A 95 4.754 0.961 10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.273 3.221 11.390 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.022 2.900 11.320 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.255 3.921 10.081 1.00 0.00 H new ATOM 1569 N GLU A 96 3.688 2.656 7.936 1.00 0.00 N ATOM 1570 CA GLU A 96 2.553 2.861 7.054 1.00 0.00 C ATOM 1571 C GLU A 96 2.106 1.525 6.463 1.00 0.00 C ATOM 1572 O GLU A 96 0.913 1.236 6.390 1.00 0.00 O ATOM 1573 CB GLU A 96 2.929 3.835 5.935 1.00 0.00 C ATOM 1574 CG GLU A 96 1.738 4.378 5.168 1.00 0.00 C ATOM 1575 CD GLU A 96 0.929 5.373 5.967 1.00 0.00 C ATOM 1576 OE1 GLU A 96 1.509 6.079 6.818 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.298 5.436 5.766 1.00 0.00 O ATOM 0 H GLU A 96 4.561 3.062 7.599 1.00 0.00 H new ATOM 0 HA GLU A 96 1.729 3.286 7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.484 4.669 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.599 3.331 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.088 4.854 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.095 3.550 4.871 1.00 0.00 H new ATOM 1584 N LEU A 97 3.082 0.711 6.067 1.00 0.00 N ATOM 1585 CA LEU A 97 2.817 -0.604 5.492 1.00 0.00 C ATOM 1586 C LEU A 97 2.106 -1.508 6.489 1.00 0.00 C ATOM 1587 O LEU A 97 1.090 -2.108 6.161 1.00 0.00 O ATOM 1588 CB LEU A 97 4.121 -1.261 5.034 1.00 0.00 C ATOM 1589 CG LEU A 97 4.854 -0.534 3.906 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.163 -1.233 3.589 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.981 -0.452 2.663 1.00 0.00 C ATOM 0 H LEU A 97 4.073 0.943 6.135 1.00 0.00 H new ATOM 0 HA LEU A 97 2.165 -0.463 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.791 -1.338 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.902 -2.278 4.708 1.00 0.00 H new ATOM 0 HG LEU A 97 5.073 0.481 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.673 -0.703 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.796 -1.240 4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.962 -2.258 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.521 0.069 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.729 -1.458 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.066 0.092 2.896 1.00 0.00 H new ATOM 1603 N GLU A 98 2.635 -1.590 7.710 1.00 0.00 N ATOM 1604 CA GLU A 98 2.014 -2.397 8.760 1.00 0.00 C ATOM 1605 C GLU A 98 0.571 -1.969 8.984 1.00 0.00 C ATOM 1606 O GLU A 98 -0.316 -2.799 9.188 1.00 0.00 O ATOM 1607 CB GLU A 98 2.777 -2.273 10.077 1.00 0.00 C ATOM 1608 CG GLU A 98 4.155 -2.908 10.062 1.00 0.00 C ATOM 1609 CD GLU A 98 4.770 -2.949 11.443 1.00 0.00 C ATOM 1610 OE1 GLU A 98 4.262 -3.709 12.295 1.00 0.00 O ATOM 1611 OE2 GLU A 98 5.746 -2.213 11.695 1.00 0.00 O ATOM 0 H GLU A 98 3.488 -1.110 7.995 1.00 0.00 H new ATOM 0 HA GLU A 98 2.041 -3.435 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.879 -1.217 10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.187 -2.732 10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.084 -3.921 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.806 -2.348 9.391 1.00 0.00 H new ATOM 1618 N LYS A 99 0.352 -0.666 8.937 1.00 0.00 N ATOM 1619 CA LYS A 99 -0.970 -0.095 9.122 1.00 0.00 C ATOM 1620 C LYS A 99 -1.907 -0.554 8.005 1.00 0.00 C ATOM 1621 O LYS A 99 -3.093 -0.786 8.232 1.00 0.00 O ATOM 1622 CB LYS A 99 -0.861 1.430 9.144 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.160 2.148 9.455 1.00 0.00 C ATOM 1624 CD LYS A 99 -1.952 3.652 9.499 1.00 0.00 C ATOM 1625 CE LYS A 99 -1.436 4.181 8.179 1.00 0.00 C ATOM 1626 NZ LYS A 99 -1.291 5.661 8.189 1.00 0.00 N ATOM 0 H LYS A 99 1.084 0.024 8.770 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.385 -0.436 10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.115 1.718 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.496 1.770 8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.906 1.902 8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.551 1.803 10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.893 4.143 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.246 3.899 10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.472 3.724 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.118 3.889 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.168 6.004 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.143 6.091 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.461 5.925 8.757 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.359 -0.702 6.805 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.128 -1.164 5.658 1.00 0.00 C ATOM 1642 C LEU A 100 -2.334 -2.678 5.724 1.00 0.00 C ATOM 1643 O LEU A 100 -3.426 -3.177 5.439 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.421 -0.783 4.357 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.144 -1.204 3.076 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.526 -0.570 3.009 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.322 -0.824 1.853 1.00 0.00 C ATOM 0 H LEU A 100 -0.379 -0.507 6.601 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.105 -0.681 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.284 0.298 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.427 -1.230 4.358 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.264 -2.287 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.025 -0.881 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.115 -0.890 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.429 0.516 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.850 -1.130 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.172 0.255 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.355 -1.325 1.895 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.283 -3.398 6.110 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.357 -4.850 6.272 1.00 0.00 C ATOM 1661 C ASP A 101 -2.474 -5.218 7.244 1.00 0.00 C ATOM 1662 O ASP A 101 -3.224 -6.171 7.020 1.00 0.00 O ATOM 1663 CB ASP A 101 -0.025 -5.420 6.789 1.00 0.00 C ATOM 1664 CG ASP A 101 1.108 -5.360 5.773 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.833 -5.379 4.559 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.289 -5.333 6.195 1.00 0.00 O ATOM 0 H ASP A 101 -0.367 -2.999 6.317 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.566 -5.282 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.272 -4.870 7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.177 -6.457 7.089 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.591 -4.437 8.314 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.615 -4.660 9.330 1.00 0.00 C ATOM 1673 C ALA A 102 -5.015 -4.355 8.793 1.00 0.00 C ATOM 1674 O ALA A 102 -6.012 -4.870 9.302 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.327 -3.817 10.565 1.00 0.00 C ATOM 0 H ALA A 102 -1.984 -3.638 8.501 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.587 -5.714 9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.099 -3.994 11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.355 -4.091 10.974 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.321 -2.762 10.292 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.090 -3.522 7.764 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.372 -3.169 7.166 1.00 0.00 C ATOM 1683 C LEU A 103 -6.899 -4.319 6.320 1.00 0.00 C ATOM 1684 O LEU A 103 -8.102 -4.562 6.264 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.250 -1.902 6.315 1.00 0.00 C ATOM 1686 CG LEU A 103 -5.926 -0.623 7.089 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.757 0.546 6.134 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.014 -0.325 8.110 1.00 0.00 C ATOM 0 H LEU A 103 -4.282 -3.079 7.327 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.077 -2.973 7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.474 -2.060 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.186 -1.754 5.777 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.987 -0.772 7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.527 1.448 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.942 0.335 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.680 0.695 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.765 0.588 8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.968 -0.196 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.089 -1.154 8.814 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.989 -5.040 5.677 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.368 -6.166 4.832 1.00 0.00 C ATOM 1702 C PHE A 104 -6.668 -7.412 5.656 1.00 0.00 C ATOM 1703 O PHE A 104 -7.140 -8.416 5.122 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.270 -6.478 3.818 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.176 -5.473 2.711 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -6.204 -5.342 1.794 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.056 -4.673 2.578 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -6.117 -4.430 0.763 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -3.964 -3.757 1.551 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.994 -3.637 0.641 1.00 0.00 C ATOM 0 H PHE A 104 -4.985 -4.866 5.724 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.276 -5.876 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.312 -6.527 4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.452 -7.463 3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.084 -5.961 1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.245 -4.766 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.925 -4.337 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.086 -3.134 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.922 -2.923 -0.166 1.00 0.00 H new ATOM 1720 N ALA A 105 -6.383 -7.349 6.946 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.638 -8.468 7.841 1.00 0.00 C ATOM 1722 C ALA A 105 -8.006 -8.333 8.498 1.00 0.00 C ATOM 1723 O ALA A 105 -8.634 -9.326 8.874 1.00 0.00 O ATOM 1724 CB ALA A 105 -5.547 -8.555 8.896 1.00 0.00 C ATOM 0 H ALA A 105 -5.973 -6.532 7.399 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.632 -9.387 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.749 -9.396 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.582 -8.699 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.527 -7.632 9.476 1.00 0.00 H new ATOM 1730 N ASP A 106 -8.478 -7.100 8.614 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.738 -6.827 9.295 1.00 0.00 C ATOM 1732 C ASP A 106 -10.734 -6.158 8.354 1.00 0.00 C ATOM 1733 O ASP A 106 -10.668 -4.954 8.116 1.00 0.00 O ATOM 1734 CB ASP A 106 -9.493 -5.948 10.529 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.771 -5.586 11.266 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -11.296 -6.437 12.016 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -11.243 -4.438 11.121 1.00 0.00 O ATOM 0 H ASP A 106 -8.009 -6.272 8.246 1.00 0.00 H new ATOM 0 HA ASP A 106 -10.165 -7.777 9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.822 -6.470 11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.987 -5.033 10.221 1.00 0.00 H new ATOM 1742 N ASP A 107 -11.633 -6.954 7.795 1.00 0.00 N ATOM 1743 CA ASP A 107 -12.703 -6.433 6.949 1.00 0.00 C ATOM 1744 C ASP A 107 -14.046 -6.593 7.640 1.00 0.00 C ATOM 1745 O ASP A 107 -14.376 -7.674 8.132 1.00 0.00 O ATOM 1746 CB ASP A 107 -12.737 -7.146 5.593 1.00 0.00 C ATOM 1747 CG ASP A 107 -13.992 -6.816 4.797 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -14.065 -5.706 4.219 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -14.911 -7.665 4.755 1.00 0.00 O ATOM 0 H ASP A 107 -11.645 -7.967 7.911 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.505 -5.375 6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.858 -6.863 5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.682 -8.223 5.750 1.00 0.00 H new